PSet 4
Katia Williams
3/18/2018
1) Properties of PLS Regression
1.a)
Prove that \(\textbf{w}_h^T\textbf{p}_h = 1\)
\[w_h = X_{h-1}^T y_{h-1}\] \[p_h = \frac{X_{h-1}^T z_h}{z_h^Tz_h}\]
\(z_h = \frac{X_{h-1}w_h}{w_h^Tw_h}\), so this expression becomes
\[=\frac{X_{h-1}^T[\frac{X_{h-1}w_h}{w_h^Tw_h}]}{z_h^Tz_h}\]
\[=X_{h-1}^TX_{h-1}w_h \frac{1}{w_h^Tw_h}\frac{1}{z_h^Tz_h}\]
\[w_h^Tp_h =w_h^TX_{h-1}^TX_{h-1}w_h \frac{1}{w_h^Tw_h}\frac{1}{z_h^Tz_h}\]
\[=(X_{h-1}w_h)^T(X_{h-1}w_h)\frac{1}{w_h^Tw_h}\frac{1}{z_h^Tz_h}\] Since \(w_h^Tw_h = 1\) and \(X_{h-1}w_h = z_h\): \[=\frac{z_h^Tz_h}{z_h^Tz_h} = 1\]
1.b) Weights and predictor-residuals are orthogonal
\[X_h^T = X_{h-1}^T - p_hz_h^T\] \[w_h^TX_h^T = w_h^TX_{h-1}^T - w_h^Tp_hz_h^T\] We just proved that \(w_h^Tp_h = 1\), so \[= (X_{h-1}w_h)^T - z_h^T\] \[= z_h^T - z_h^T = 0\]
2) Bias of Regression Coefficients in PCR
2.a)
\[E[\beta] = \beta\] \[E[\hat{\beta}_Z^{(k)}] = E[V_k (Z_k^TZ_k)^{-1}Z_k^T y]\] \(y = X\beta + \epsilon\) and \(E[\epsilon]= 0\) so
\[=E[V_k (Z_k^TZ_k)^{-1}Z_k^T X\beta + V_k (Z_k^TZ_k)^{-1}Z_k^T X\beta\epsilon]\] \[= E[V_k (Z_k^TZ_k)^{-1}Z_k^T X\beta]\] And since \(Z_k = X_kV_k\)
\[ = E[V_k [V_k^T X_k^TX_k V_k]^{-1} V_k^TX^TX\beta]\] \[= E[V_k (V_k^T V_k \Lambda_k V_k^T V_k)^{-1} V_k^T X^TX\beta]\] \[=V_kV_k^TV_k\Lambda_K^{-1}V_k^TV_k V_k^T X^TX\beta\] \[= V_k \Lambda_k^{-1}V_k^TX^TX \beta\]
and therefore:
\[E[\hat{\beta}_Z^{(k)} - \beta] = V_k \Lambda_k^{-1}V_k^TX^TX \beta - \beta\] \[=(V_k \Lambda_k^{-1}V_k^TX^TX - I)\beta\] ###2.b) If all of the PCs are used:
\[E[\hat{\beta}_Z - \beta] = (V \Lambda^{-1}V^TX^TX - I)\beta\]
3) Bias of Ridge Regression Coefficients
\[E[\hat{\beta}_r(k)] = E[(X^TX + kI)^{-1}X^Ty]\] \[=(X^TX + kI)^{-1}X^TX\beta\] \[=(VDU^TUDV^T + kI)^{-1} (VDU^T)(UDV^T)\beta\] \[= (VD^2V^T + kI)^{-1}VD^2V^T\beta\] \[= (V\Lambda V^T + kI)^{-1}V\Lambda V^T \beta\] \[E[\hat{\beta}_r(k) - \beta] = (V\Lambda V^T + kI)^{-1}V\Lambda V^T \beta - \beta\] \[= ((V\Lambda V^T + kI)^{-1}V\Lambda V^T - I)\beta\] ##4) models for Solubility Data Note: Elastic Net was not installing on my machine. I was given permission to use glmnet instead
ctr <- trainControl(method="cv", number=10)require(AppliedPredictiveModeling)
data(solubility)4.1) PCR
#Set a random seed
set.seed(123)
#Use train to perform the model building process for PCR
pcr_fit <- train(solTrainXtrans, solTrainY,
method = "pcr",
tuneLength = 40,
trControl = ctr,
preProc = c("center", "scale"))
#Print this object
print(pcr_fit)## Principal Component Analysis
##
## 951 samples
## 228 predictors
##
## Pre-processing: centered (228), scaled (228)
## Resampling: Cross-Validated (10 fold)
## Summary of sample sizes: 855, 856, 857, 855, 858, 856, ...
## Resampling results across tuning parameters:
##
## ncomp RMSE Rsquared MAE
## 1 2.0308324 0.01319427 1.5750788
## 2 1.9707715 0.07808319 1.5564857
## 3 1.7060142 0.31310580 1.3516080
## 4 1.5932347 0.39865778 1.2381826
## 5 1.5531950 0.43044809 1.2157278
## 6 1.4495472 0.50951831 1.1197682
## 7 1.2923179 0.61147086 1.0058465
## 8 1.2900200 0.61287424 1.0055252
## 9 1.2931754 0.61125881 1.0096277
## 10 1.2696162 0.62392862 0.9831107
## 11 1.2417760 0.63955640 0.9616486
## 12 1.2380954 0.64218389 0.9592778
## 13 1.2423902 0.64004111 0.9621361
## 14 1.1962144 0.66443245 0.9284297
## 15 1.1659604 0.68080222 0.9164647
## 16 1.1189793 0.70514819 0.8815294
## 17 1.0495295 0.73950813 0.8322642
## 18 1.0463827 0.74147585 0.8271144
## 19 1.0323848 0.74793751 0.8108398
## 20 1.0075890 0.75884958 0.7880490
## 21 1.0029671 0.76063415 0.7835055
## 22 1.0029907 0.76044129 0.7858450
## 23 0.9766403 0.77224533 0.7644947
## 24 0.9766865 0.77237125 0.7647721
## 25 0.9753077 0.77313138 0.7648619
## 26 0.9689419 0.77581456 0.7590197
## 27 0.9633727 0.77832661 0.7576389
## 28 0.9647288 0.77785681 0.7573386
## 29 0.9565219 0.78157777 0.7493461
## 30 0.9517489 0.78326666 0.7431782
## 31 0.9414207 0.78795117 0.7339202
## 32 0.9260782 0.79521598 0.7259849
## 33 0.9135169 0.80155128 0.7169702
## 34 0.9151003 0.80095588 0.7171707
## 35 0.8982796 0.80830197 0.7039583
## 36 0.8871799 0.81357182 0.6930306
## 37 0.8781592 0.81758611 0.6838832
## 38 0.8781540 0.81747527 0.6858392
## 39 0.8773834 0.81778114 0.6863168
## 40 0.8696992 0.82092997 0.6813942
##
## RMSE was used to select the optimal model using the smallest value.
## The final value used for the model was ncomp = 40.#Print the RMSE against the number of PCR components
pcr_fit.dt <- pcr_fit$results
plot(pcr_fit)
#What is the number of PCs that gives the minimum RMSE value?
pcr_fit.dt[pcr_fit.dt['RMSE'] == min(pcr_fit.dt['RMSE'])][1]## [1] 40#Make a plot of the regression coefficient paths
PCvCoef <- data.frame(coef(pcr_fit$finalModel,1))
PCvCoef['PCs'] <- rep(1, nrow(PCvCoef))
PCvCoef <- cbind(rownames(PCvCoef), data.frame(PCvCoef, row.names=NULL))
names(PCvCoef) <- c('Var', 'Coefficient', 'PCs')
new <- PCvCoef
for (i in c(2:40)) {
add <- data.frame(coef(pcr_fit$finalModel,i))
add['PCs'] <- rep(i, nrow(PCvCoef))
add <- cbind(rownames(add), data.frame(add, row.names=NULL))
names(add) <- c('Var','Coefficient', 'PCs')
new <- rbind(new, add)
}
ggplot(new, aes(x=PCs, y=Coefficient)) + geom_line(aes(group=Var, col=Var)) + theme(legend.position="none")
It’s a bit hard to tell which is which, since there are so many predictors, but their spread is obviously increasing.
4.2) PLSR
#Set a random seed
set.seed(123)
#Use train to perform the model building process for PLS
pls_fit <- train(solTrainXtrans, solTrainY,
method = "pls",
tuneLength = 30,
trControl = ctr,
preProc = c("center", "scale"))
#Print this object
print(pls_fit)## Partial Least Squares
##
## 951 samples
## 228 predictors
##
## Pre-processing: centered (228), scaled (228)
## Resampling: Cross-Validated (10 fold)
## Summary of sample sizes: 855, 856, 857, 855, 858, 856, ...
## Resampling results across tuning parameters:
##
## ncomp RMSE Rsquared MAE
## 1 1.2830370 0.6121584 0.9920334
## 2 1.0577980 0.7389346 0.8333411
## 3 0.9367351 0.7928528 0.7261948
## 4 0.8595250 0.8230701 0.6715884
## 5 0.8151386 0.8410412 0.6385128
## 6 0.7815139 0.8539578 0.6095514
## 7 0.7579989 0.8632296 0.5820009
## 8 0.7453174 0.8677882 0.5738257
## 9 0.7351757 0.8713521 0.5652976
## 10 0.7244194 0.8750527 0.5567334
## 11 0.7226700 0.8762441 0.5547074
## 12 0.7123173 0.8793324 0.5469905
## 13 0.7118277 0.8795625 0.5487475
## 14 0.7097585 0.8801948 0.5464206
## 15 0.7060065 0.8814594 0.5427193
## 16 0.7057299 0.8816317 0.5452580
## 17 0.7075520 0.8808714 0.5451574
## 18 0.7053908 0.8815508 0.5452126
## 19 0.7085240 0.8806867 0.5469925
## 20 0.7080592 0.8809294 0.5448573
## 21 0.7087067 0.8807808 0.5458135
## 22 0.7113108 0.8800784 0.5452090
## 23 0.7137803 0.8792575 0.5460563
## 24 0.7156602 0.8787303 0.5475727
## 25 0.7198120 0.8773188 0.5515407
## 26 0.7226025 0.8764729 0.5546388
## 27 0.7254175 0.8755934 0.5560933
## 28 0.7273315 0.8749365 0.5563814
## 29 0.7292893 0.8742369 0.5581913
## 30 0.7311299 0.8736009 0.5581706
##
## RMSE was used to select the optimal model using the smallest value.
## The final value used for the model was ncomp = 18.#Print the RMSE against the number of PLS components
pls_fit.dt <- pls_fit$results
plot(pls_fit)
#What is the number of PCs that gives the minimum RMSE value?
pls_fit.dt[pls_fit.dt['RMSE'] == min(pls_fit.dt['RMSE'])][1]## [1] 18#Make a plot of the regression coefficient paths
PCvCoef <- data.frame(coef(pls_fit$finalModel,1))
PCvCoef['PCs'] <- rep(1, nrow(PCvCoef))
PCvCoef <- cbind(rownames(PCvCoef), data.frame(PCvCoef, row.names=NULL))
names(PCvCoef) <- c('Var', 'Coefficient', 'PCs')
new <- PCvCoef
for (i in c(2:18)) {
add <- data.frame(coef(pls_fit$finalModel,i))
add['PCs'] <- rep(i, nrow(PCvCoef))
add <- cbind(rownames(add), data.frame(add, row.names=NULL))
names(add) <- c('Var','Coefficient', 'PCs')
new <- rbind(new, add)
}
ggplot(new, aes(x=PCs, y=Coefficient)) + geom_line(aes(group=Var, col=Var)) + theme(legend.position="none")
4.3 Ridge Regression
NOTE: ELASTIC NET WOULD NOT LOAD ON MY MACHINE.
#Set a random seed
#set.seed(123)
#Define the candidate set of values for the tuning parameters:
#ridgeGrid = data.frame(.lambda = seq(0, .1, length = 15))
#Use train to perform the model building process for Ridge
#ridge_fit <- train(solTrainXtrans, solTrainY,
#method = "ridge",
#tuneGrid = ridgeGrid,
#trControl = ctr,
#preProc = c("center", "scale"))
#Print this object
#print(ridge_fit)The following is the above using glmnet (which I was given permission to use instead):
#Set a random seed
set.seed(123)
#Perform the model building process for Ridge
ridge_fit <- cv.glmnet(x=as.matrix(solTrainX), y=solTrainY,family="gaussian",alpha=1,
type.measure="mse", nfolds = 10, lambda = seq(0,0.1, length=15),
standardize=TRUE)
#Print this object
print(ridge_fit)## $lambda
## [1] 0.100000000 0.092857143 0.085714286 0.078571429 0.071428571
## [6] 0.064285714 0.057142857 0.050000000 0.042857143 0.035714286
## [11] 0.028571429 0.021428571 0.014285714 0.007142857 0.000000000
##
## $cvm
## [1] 0.7012624 0.6808345 0.6611327 0.6418060 0.6228139 0.6047122 0.5881091
## [8] 0.5729465 0.5526528 0.5283398 0.5041482 0.4839080 0.4593150 0.4328278
## [15] 0.5179263
##
## $cvsd
## [1] 0.04368546 0.04148447 0.03953513 0.03768264 0.03594081 0.03456415
## [7] 0.03348400 0.03269207 0.03145713 0.02988749 0.02847866 0.02663246
## [13] 0.02485181 0.02523512 0.02847021
##
## $cvup
## [1] 0.7449479 0.7223189 0.7006679 0.6794886 0.6587547 0.6392763 0.6215931
## [8] 0.6056386 0.5841099 0.5582273 0.5326268 0.5105405 0.4841668 0.4580629
## [15] 0.5463965
##
## $cvlo
## [1] 0.6575770 0.6393500 0.6215976 0.6041233 0.5868731 0.5701480 0.5546251
## [8] 0.5402545 0.5211957 0.4984524 0.4756695 0.4572755 0.4344632 0.4075927
## [15] 0.4894561
##
## $nzero
## s0 s1 s2 s3 s4 s5 s6 s7 s8 s9 s10 s11 s12 s13 s14
## 32 34 34 37 39 38 41 46 51 56 67 80 101 128 228
##
## $name
## mse
## "Mean-Squared Error"
##
## $glmnet.fit
##
## Call: glmnet(x = as.matrix(solTrainX), y = solTrainY, lambda = seq(0, 0.1, length = 15), family = "gaussian", alpha = 1, standardize = TRUE)
##
## Df %Dev Lambda
## [1,] 32 0.8456 0.100000
## [2,] 34 0.8506 0.092860
## [3,] 34 0.8555 0.085710
## [4,] 37 0.8603 0.078570
## [5,] 39 0.8651 0.071430
## [6,] 38 0.8694 0.064290
## [7,] 41 0.8734 0.057140
## [8,] 46 0.8779 0.050000
## [9,] 51 0.8842 0.042860
## [10,] 56 0.8912 0.035710
## [11,] 67 0.8984 0.028570
## [12,] 80 0.9061 0.021430
## [13,] 101 0.9167 0.014290
## [14,] 128 0.9286 0.007143
## [15,] 228 0.9430 0.000000
##
## $lambda.min
## [1] 0.007142857
##
## $lambda.1se
## [1] 0.007142857
##
## attr(,"class")
## [1] "cv.glmnet"#Plot the RMSEs against the values of the tuning parameter lambda
RMSE <- (ridge_fit$cvm)**.5
EvL <- data.frame(RMSE, ridge_fit$lambda)
names(EvL) <- c('RMSE', 'Lambda')
ggplot(EvL, aes(x=Lambda, y=RMSE)) + geom_point() + geom_line(col="blue")
#What is the value of lambda that gives the minimum RMSE value?
ridge_fit$lambda.min## [1] 0.007142857#Make a plot of the regression coefficient paths
#Code partially found from stack overflow
lambdas <- length(ridge_fit$lambda)
tmp_coeffs <- coef(ridge_fit, s = ridge_fit$lambda[1])
ridgebetadf <- data.frame(name = tmp_coeffs@Dimnames[[1]][tmp_coeffs@i + 1], coefficient = tmp_coeffs@x)
ridgebetadf['lambda'] <- rep(ridge_fit$lambda[1], nrow(ridgebetadf))
for (i in c(2: lambdas)) {
tmp_coeffs <- coef(ridge_fit, s = ridge_fit$lambda[i])
new <- data.frame(name = tmp_coeffs@Dimnames[[1]][tmp_coeffs@i + 1], coefficient = tmp_coeffs@x)
new['lambda'] <- rep(ridge_fit$lambda[i], nrow(new))
ridgebetadf <- rbind(ridgebetadf, new)
}
ridgebetadf## name coefficient lambda
## 1 (Intercept) -3.867786e-01 0.100000000
## 2 FP011 1.041492e-01 0.100000000
## 3 FP039 -2.038969e-01 0.100000000
## 4 FP040 3.254007e-01 0.100000000
## 5 FP043 1.685896e-01 0.100000000
## 6 FP044 -5.488025e-01 0.100000000
## 7 FP050 -3.892125e-03 0.100000000
## 8 FP059 -5.782752e-01 0.100000000
## 9 FP063 2.850949e-01 0.100000000
## 10 FP072 4.584344e-01 0.100000000
## 11 FP073 3.678680e-02 0.100000000
## 12 FP074 1.163293e-01 0.100000000
## 13 FP084 7.470623e-02 0.100000000
## 14 FP094 -5.671923e-02 0.100000000
## 15 FP101 3.962277e-02 0.100000000
## 16 FP111 -1.283601e-01 0.100000000
## 17 FP124 5.447201e-03 0.100000000
## 18 FP135 2.493512e-01 0.100000000
## 19 FP142 3.342292e-01 0.100000000
## 20 FP147 7.361030e-02 0.100000000
## 21 FP172 -4.040584e-02 0.100000000
## 22 FP193 -1.761775e-03 0.100000000
## 23 FP204 -2.214421e-01 0.100000000
## 24 FP206 -2.355033e-01 0.100000000
## 25 MolWeight -7.103118e-03 0.100000000
## 26 NumMultBonds -6.464924e-02 0.100000000
## 27 NumRotBonds -1.181905e-02 0.100000000
## 28 NumCarbon -1.200727e-01 0.100000000
## 29 NumOxygen 1.361853e-01 0.100000000
## 30 NumSulfer -9.001094e-02 0.100000000
## 31 NumChlorine -2.797318e-01 0.100000000
## 32 HydrophilicFactor 6.962934e-02 0.100000000
## 33 SurfaceArea1 5.353751e-03 0.100000000
## 34 (Intercept) -3.718579e-01 0.092857143
## 35 FP011 1.130368e-01 0.092857143
## 36 FP039 -2.297709e-01 0.092857143
## 37 FP040 3.430618e-01 0.092857143
## 38 FP043 1.720447e-01 0.092857143
## 39 FP044 -5.357459e-01 0.092857143
## 40 FP050 -1.783640e-02 0.092857143
## 41 FP059 -5.755062e-01 0.092857143
## 42 FP063 3.019887e-01 0.092857143
## 43 FP065 -7.349661e-03 0.092857143
## 44 FP072 4.549418e-01 0.092857143
## 45 FP073 3.915735e-02 0.092857143
## 46 FP074 1.257488e-01 0.092857143
## 47 FP080 1.058361e-02 0.092857143
## 48 FP084 6.620530e-02 0.092857143
## 49 FP094 -6.601857e-02 0.092857143
## 50 FP101 5.664569e-02 0.092857143
## 51 FP111 -1.578010e-01 0.092857143
## 52 FP124 1.317642e-02 0.092857143
## 53 FP135 2.545533e-01 0.092857143
## 54 FP142 3.472573e-01 0.092857143
## 55 FP147 7.035064e-02 0.092857143
## 56 FP172 -4.727007e-02 0.092857143
## 57 FP193 -2.015322e-02 0.092857143
## 58 FP204 -2.178314e-01 0.092857143
## 59 FP206 -2.376519e-01 0.092857143
## 60 MolWeight -7.081355e-03 0.092857143
## 61 NumMultBonds -6.437550e-02 0.092857143
## 62 NumRotBonds -1.511255e-02 0.092857143
## 63 NumCarbon -1.231343e-01 0.092857143
## 64 NumOxygen 1.441553e-01 0.092857143
## 65 NumSulfer -1.003553e-01 0.092857143
## 66 NumChlorine -2.813135e-01 0.092857143
## 67 HydrophilicFactor 6.339337e-02 0.092857143
## 68 SurfaceArea1 5.452633e-03 0.092857143
## 69 (Intercept) -3.571508e-01 0.085714286
## 70 FP011 1.166871e-01 0.085714286
## 71 FP039 -2.580387e-01 0.085714286
## 72 FP040 3.622515e-01 0.085714286
## 73 FP043 1.737865e-01 0.085714286
## 74 FP044 -5.257191e-01 0.085714286
## 75 FP050 -3.339418e-02 0.085714286
## 76 FP059 -5.687510e-01 0.085714286
## 77 FP063 3.205447e-01 0.085714286
## 78 FP065 -2.856697e-02 0.085714286
## 79 FP072 4.520420e-01 0.085714286
## 80 FP073 4.090430e-02 0.085714286
## 81 FP074 1.390302e-01 0.085714286
## 82 FP080 2.637619e-02 0.085714286
## 83 FP084 4.785299e-02 0.085714286
## 84 FP094 -7.253065e-02 0.085714286
## 85 FP101 8.492743e-02 0.085714286
## 86 FP111 -1.858933e-01 0.085714286
## 87 FP124 2.272689e-02 0.085714286
## 88 FP135 2.579232e-01 0.085714286
## 89 FP142 3.589459e-01 0.085714286
## 90 FP147 6.430378e-02 0.085714286
## 91 FP172 -4.978743e-02 0.085714286
## 92 FP193 -3.988739e-02 0.085714286
## 93 FP204 -2.107285e-01 0.085714286
## 94 FP206 -2.383225e-01 0.085714286
## 95 MolWeight -7.065474e-03 0.085714286
## 96 NumMultBonds -6.350604e-02 0.085714286
## 97 NumRotBonds -2.043475e-02 0.085714286
## 98 NumCarbon -1.254156e-01 0.085714286
## 99 NumOxygen 1.544943e-01 0.085714286
## 100 NumSulfer -1.089621e-01 0.085714286
## 101 NumChlorine -2.823861e-01 0.085714286
## 102 HydrophilicFactor 6.138092e-02 0.085714286
## 103 SurfaceArea1 5.412461e-03 0.085714286
## 104 (Intercept) -3.395183e-01 0.078571429
## 105 FP011 1.199983e-01 0.078571429
## 106 FP039 -2.928265e-01 0.078571429
## 107 FP040 3.764709e-01 0.078571429
## 108 FP043 1.815723e-01 0.078571429
## 109 FP044 -5.173907e-01 0.078571429
## 110 FP050 -4.930589e-02 0.078571429
## 111 FP059 -5.637861e-01 0.078571429
## 112 FP063 3.361535e-01 0.078571429
## 113 FP065 -4.728590e-02 0.078571429
## 114 FP072 4.520198e-01 0.078571429
## 115 FP073 3.906993e-02 0.078571429
## 116 FP074 1.510186e-01 0.078571429
## 117 FP080 3.716130e-02 0.078571429
## 118 FP084 2.536041e-02 0.078571429
## 119 FP085 -8.542523e-03 0.078571429
## 120 FP094 -8.010024e-02 0.078571429
## 121 FP101 1.100808e-01 0.078571429
## 122 FP111 -2.129343e-01 0.078571429
## 123 FP124 3.196486e-02 0.078571429
## 124 FP135 2.645333e-01 0.078571429
## 125 FP136 1.938608e-02 0.078571429
## 126 FP142 3.735829e-01 0.078571429
## 127 FP144 1.253312e-02 0.078571429
## 128 FP147 5.700626e-02 0.078571429
## 129 FP172 -4.890491e-02 0.078571429
## 130 FP193 -5.423432e-02 0.078571429
## 131 FP204 -2.047098e-01 0.078571429
## 132 FP206 -2.336323e-01 0.078571429
## 133 MolWeight -7.070576e-03 0.078571429
## 134 NumMultBonds -6.250082e-02 0.078571429
## 135 NumRotBonds -2.644084e-02 0.078571429
## 136 NumCarbon -1.273881e-01 0.078571429
## 137 NumOxygen 1.683261e-01 0.078571429
## 138 NumSulfer -1.161149e-01 0.078571429
## 139 NumChlorine -2.831982e-01 0.078571429
## 140 HydrophilicFactor 6.066941e-02 0.078571429
## 141 SurfaceArea1 5.198095e-03 0.078571429
## 142 (Intercept) -3.197541e-01 0.071428571
## 143 FP011 1.217466e-01 0.071428571
## 144 FP039 -3.404541e-01 0.071428571
## 145 FP040 3.846591e-01 0.071428571
## 146 FP043 1.969028e-01 0.071428571
## 147 FP044 -5.151434e-01 0.071428571
## 148 FP050 -6.319150e-02 0.071428571
## 149 FP059 -5.581628e-01 0.071428571
## 150 FP063 3.553649e-01 0.071428571
## 151 FP065 -6.500447e-02 0.071428571
## 152 FP072 4.518464e-01 0.071428571
## 153 FP073 3.844117e-02 0.071428571
## 154 FP074 1.606009e-01 0.071428571
## 155 FP080 4.204404e-02 0.071428571
## 156 FP084 3.329121e-03 0.071428571
## 157 FP085 -3.415589e-02 0.071428571
## 158 FP088 8.261133e-03 0.071428571
## 159 FP094 -8.494689e-02 0.071428571
## 160 FP101 1.257093e-01 0.071428571
## 161 FP111 -2.367807e-01 0.071428571
## 162 FP124 4.101093e-02 0.071428571
## 163 FP135 2.742918e-01 0.071428571
## 164 FP136 6.284928e-02 0.071428571
## 165 FP142 3.913531e-01 0.071428571
## 166 FP144 2.916019e-02 0.071428571
## 167 FP147 5.124397e-02 0.071428571
## 168 FP172 -4.397782e-02 0.071428571
## 169 FP175 -4.143477e-03 0.071428571
## 170 FP193 -5.834305e-02 0.071428571
## 171 FP204 -1.978455e-01 0.071428571
## 172 FP206 -2.252674e-01 0.071428571
## 173 MolWeight -7.051461e-03 0.071428571
## 174 NumMultBonds -6.052108e-02 0.071428571
## 175 NumRotBonds -3.366319e-02 0.071428571
## 176 NumCarbon -1.297973e-01 0.071428571
## 177 NumOxygen 1.893248e-01 0.071428571
## 178 NumSulfer -1.228854e-01 0.071428571
## 179 NumChlorine -2.846239e-01 0.071428571
## 180 HydrophilicFactor 6.404862e-02 0.071428571
## 181 SurfaceArea1 4.502612e-03 0.071428571
## 182 (Intercept) -3.014199e-01 0.064285714
## 183 FP011 1.232077e-01 0.064285714
## 184 FP039 -3.886375e-01 0.064285714
## 185 FP040 3.898240e-01 0.064285714
## 186 FP043 2.127945e-01 0.064285714
## 187 FP044 -5.129569e-01 0.064285714
## 188 FP050 -7.571731e-02 0.064285714
## 189 FP059 -5.506175e-01 0.064285714
## 190 FP063 3.747624e-01 0.064285714
## 191 FP065 -8.307027e-02 0.064285714
## 192 FP072 4.504257e-01 0.064285714
## 193 FP073 4.044325e-02 0.064285714
## 194 FP074 1.685612e-01 0.064285714
## 195 FP080 4.578509e-02 0.064285714
## 196 FP085 -5.898112e-02 0.064285714
## 197 FP088 2.357635e-02 0.064285714
## 198 FP094 -8.533839e-02 0.064285714
## 199 FP101 1.241352e-01 0.064285714
## 200 FP111 -2.593659e-01 0.064285714
## 201 FP124 5.210318e-02 0.064285714
## 202 FP135 2.835303e-01 0.064285714
## 203 FP136 1.043105e-01 0.064285714
## 204 FP142 4.083511e-01 0.064285714
## 205 FP144 4.436527e-02 0.064285714
## 206 FP147 4.636096e-02 0.064285714
## 207 FP172 -4.051800e-02 0.064285714
## 208 FP175 -1.945050e-02 0.064285714
## 209 FP193 -6.290487e-02 0.064285714
## 210 FP204 -1.822617e-01 0.064285714
## 211 FP206 -2.243206e-01 0.064285714
## 212 MolWeight -7.023576e-03 0.064285714
## 213 NumMultBonds -5.832603e-02 0.064285714
## 214 NumRotBonds -4.054741e-02 0.064285714
## 215 NumCarbon -1.324687e-01 0.064285714
## 216 NumOxygen 2.074563e-01 0.064285714
## 217 NumSulfer -1.309606e-01 0.064285714
## 218 NumChlorine -2.860542e-01 0.064285714
## 219 HydrophilicFactor 6.695251e-02 0.064285714
## 220 SurfaceArea1 3.882631e-03 0.064285714
## 221 (Intercept) -2.801441e-01 0.057142857
## 222 FP011 1.244841e-01 0.057142857
## 223 FP031 8.588105e-03 0.057142857
## 224 FP039 -4.358127e-01 0.057142857
## 225 FP040 3.936435e-01 0.057142857
## 226 FP043 2.282279e-01 0.057142857
## 227 FP044 -5.080471e-01 0.057142857
## 228 FP050 -9.046076e-02 0.057142857
## 229 FP059 -5.453804e-01 0.057142857
## 230 FP063 3.949558e-01 0.057142857
## 231 FP065 -1.000264e-01 0.057142857
## 232 FP072 4.493361e-01 0.057142857
## 233 FP073 4.387768e-02 0.057142857
## 234 FP074 1.765650e-01 0.057142857
## 235 FP080 4.849208e-02 0.057142857
## 236 FP081 -4.302426e-03 0.057142857
## 237 FP082 -6.778996e-03 0.057142857
## 238 FP085 -8.206980e-02 0.057142857
## 239 FP088 3.671822e-02 0.057142857
## 240 FP094 -8.725513e-02 0.057142857
## 241 FP101 1.182593e-01 0.057142857
## 242 FP111 -2.804924e-01 0.057142857
## 243 FP124 6.212748e-02 0.057142857
## 244 FP135 2.934756e-01 0.057142857
## 245 FP136 1.482473e-01 0.057142857
## 246 FP142 4.256392e-01 0.057142857
## 247 FP144 5.960671e-02 0.057142857
## 248 FP147 4.091676e-02 0.057142857
## 249 FP172 -3.606138e-02 0.057142857
## 250 FP175 -3.061318e-02 0.057142857
## 251 FP193 -6.924555e-02 0.057142857
## 252 FP204 -1.679344e-01 0.057142857
## 253 FP206 -2.224426e-01 0.057142857
## 254 MolWeight -7.013362e-03 0.057142857
## 255 NumMultBonds -5.647620e-02 0.057142857
## 256 NumRotBonds -4.738931e-02 0.057142857
## 257 NumCarbon -1.345083e-01 0.057142857
## 258 NumOxygen 2.249359e-01 0.057142857
## 259 NumSulfer -1.380403e-01 0.057142857
## 260 NumChlorine -2.874128e-01 0.057142857
## 261 HydrophilicFactor 6.940559e-02 0.057142857
## 262 SurfaceArea1 3.288934e-03 0.057142857
## 263 (Intercept) -2.596640e-01 0.050000000
## 264 FP011 1.228883e-01 0.050000000
## 265 FP031 3.073059e-02 0.050000000
## 266 FP039 -4.888230e-01 0.050000000
## 267 FP040 4.024265e-01 0.050000000
## 268 FP043 2.456394e-01 0.050000000
## 269 FP044 -5.027664e-01 0.050000000
## 270 FP050 -1.063566e-01 0.050000000
## 271 FP059 -5.425812e-01 0.050000000
## 272 FP063 4.118237e-01 0.050000000
## 273 FP065 -1.188143e-01 0.050000000
## 274 FP072 4.499620e-01 0.050000000
## 275 FP073 4.902732e-02 0.050000000
## 276 FP074 1.847267e-01 0.050000000
## 277 FP080 4.999907e-02 0.050000000
## 278 FP081 -3.828526e-02 0.050000000
## 279 FP082 -1.741777e-02 0.050000000
## 280 FP085 -1.037853e-01 0.050000000
## 281 FP088 5.026540e-02 0.050000000
## 282 FP094 -8.981361e-02 0.050000000
## 283 FP101 1.131469e-01 0.050000000
## 284 FP111 -2.929025e-01 0.050000000
## 285 FP122 3.677658e-03 0.050000000
## 286 FP124 7.411739e-02 0.050000000
## 287 FP126 -1.866345e-02 0.050000000
## 288 FP135 3.067137e-01 0.050000000
## 289 FP136 1.992684e-01 0.050000000
## 290 FP142 4.461168e-01 0.050000000
## 291 FP144 7.194054e-02 0.050000000
## 292 FP147 3.577098e-02 0.050000000
## 293 FP172 -2.907264e-02 0.050000000
## 294 FP175 -1.618487e-02 0.050000000
## 295 FP188 1.764204e-02 0.050000000
## 296 FP193 -7.832986e-02 0.050000000
## 297 FP198 7.235016e-03 0.050000000
## 298 FP202 1.642194e-02 0.050000000
## 299 FP204 -1.551142e-01 0.050000000
## 300 FP206 -2.190133e-01 0.050000000
## 301 MolWeight -7.010024e-03 0.050000000
## 302 NumMultBonds -5.630198e-02 0.050000000
## 303 NumRotBonds -5.565990e-02 0.050000000
## 304 NumCarbon -1.349149e-01 0.050000000
## 305 NumOxygen 2.402330e-01 0.050000000
## 306 NumSulfer -1.434578e-01 0.050000000
## 307 NumChlorine -2.886009e-01 0.050000000
## 308 HydrophilicFactor 7.299062e-02 0.050000000
## 309 SurfaceArea1 2.784984e-03 0.050000000
## 310 (Intercept) -2.571228e-01 0.042857143
## 311 FP011 1.200762e-01 0.042857143
## 312 FP031 5.591065e-02 0.042857143
## 313 FP039 -5.329651e-01 0.042857143
## 314 FP040 4.145243e-01 0.042857143
## 315 FP042 5.333060e-02 0.042857143
## 316 FP043 2.486819e-01 0.042857143
## 317 FP044 -4.930618e-01 0.042857143
## 318 FP050 -1.313101e-01 0.042857143
## 319 FP059 -5.255424e-01 0.042857143
## 320 FP063 4.271407e-01 0.042857143
## 321 FP065 -1.512658e-01 0.042857143
## 322 FP070 -1.220472e-02 0.042857143
## 323 FP072 4.583988e-01 0.042857143
## 324 FP073 5.011498e-02 0.042857143
## 325 FP074 1.995572e-01 0.042857143
## 326 FP080 5.008267e-02 0.042857143
## 327 FP081 -7.752406e-02 0.042857143
## 328 FP082 -2.980939e-02 0.042857143
## 329 FP085 -1.251162e-01 0.042857143
## 330 FP088 5.566097e-02 0.042857143
## 331 FP094 -8.519572e-02 0.042857143
## 332 FP101 1.417248e-01 0.042857143
## 333 FP111 -3.009387e-01 0.042857143
## 334 FP122 3.000247e-02 0.042857143
## 335 FP123 -1.231249e-02 0.042857143
## 336 FP124 9.414041e-02 0.042857143
## 337 FP126 -6.907599e-02 0.042857143
## 338 FP128 -2.577051e-02 0.042857143
## 339 FP135 3.230898e-01 0.042857143
## 340 FP136 2.276284e-01 0.042857143
## 341 FP142 4.773648e-01 0.042857143
## 342 FP144 6.275459e-02 0.042857143
## 343 FP145 -3.624882e-02 0.042857143
## 344 FP147 2.317509e-02 0.042857143
## 345 FP172 -1.192278e-02 0.042857143
## 346 FP175 -1.217289e-03 0.042857143
## 347 FP188 5.485992e-02 0.042857143
## 348 FP193 -8.863760e-02 0.042857143
## 349 FP198 3.657357e-02 0.042857143
## 350 FP202 6.573063e-02 0.042857143
## 351 FP204 -1.294232e-01 0.042857143
## 352 FP206 -2.285170e-01 0.042857143
## 353 MolWeight -6.875586e-03 0.042857143
## 354 NumMultBonds -5.788016e-02 0.042857143
## 355 NumRotBonds -6.679039e-02 0.042857143
## 356 NumCarbon -1.363637e-01 0.042857143
## 357 NumOxygen 2.528467e-01 0.042857143
## 358 NumSulfer -1.566373e-01 0.042857143
## 359 NumChlorine -2.888643e-01 0.042857143
## 360 HydrophilicFactor 6.914221e-02 0.042857143
## 361 SurfaceArea1 2.913126e-03 0.042857143
## 362 (Intercept) -2.528885e-01 0.035714286
## 363 FP011 1.332443e-01 0.035714286
## 364 FP026 2.877465e-02 0.035714286
## 365 FP031 7.760576e-02 0.035714286
## 366 FP033 5.837708e-02 0.035714286
## 367 FP037 1.899868e-02 0.035714286
## 368 FP039 -5.634818e-01 0.035714286
## 369 FP040 4.364179e-01 0.035714286
## 370 FP042 1.147076e-01 0.035714286
## 371 FP043 2.494900e-01 0.035714286
## 372 FP044 -4.694914e-01 0.035714286
## 373 FP050 -1.582684e-01 0.035714286
## 374 FP059 -5.171801e-01 0.035714286
## 375 FP063 4.560173e-01 0.035714286
## 376 FP065 -1.820842e-01 0.035714286
## 377 FP070 -1.599409e-02 0.035714286
## 378 FP072 4.611666e-01 0.035714286
## 379 FP073 3.685717e-02 0.035714286
## 380 FP074 2.018487e-01 0.035714286
## 381 FP080 4.717439e-02 0.035714286
## 382 FP081 -1.188437e-01 0.035714286
## 383 FP082 -4.455801e-02 0.035714286
## 384 FP085 -1.519301e-01 0.035714286
## 385 FP088 6.382189e-02 0.035714286
## 386 FP094 -7.617012e-02 0.035714286
## 387 FP101 1.777050e-01 0.035714286
## 388 FP111 -3.162274e-01 0.035714286
## 389 FP122 5.309756e-02 0.035714286
## 390 FP123 -3.808427e-02 0.035714286
## 391 FP124 1.148150e-01 0.035714286
## 392 FP126 -1.080436e-01 0.035714286
## 393 FP128 -5.802384e-02 0.035714286
## 394 FP135 3.295081e-01 0.035714286
## 395 FP136 2.453408e-01 0.035714286
## 396 FP142 5.074407e-01 0.035714286
## 397 FP144 6.347251e-02 0.035714286
## 398 FP145 -9.315079e-02 0.035714286
## 399 FP147 1.237573e-02 0.035714286
## 400 FP148 -3.142070e-02 0.035714286
## 401 FP154 -9.511272e-03 0.035714286
## 402 FP172 -1.270730e-02 0.035714286
## 403 FP188 9.060169e-02 0.035714286
## 404 FP193 -9.977818e-02 0.035714286
## 405 FP198 5.805191e-02 0.035714286
## 406 FP202 1.288494e-01 0.035714286
## 407 FP204 -1.032630e-01 0.035714286
## 408 FP206 -2.312621e-01 0.035714286
## 409 FP207 5.774350e-02 0.035714286
## 410 MolWeight -6.714781e-03 0.035714286
## 411 NumMultBonds -6.221605e-02 0.035714286
## 412 NumRotBonds -7.616744e-02 0.035714286
## 413 NumCarbon -1.383610e-01 0.035714286
## 414 NumOxygen 2.691742e-01 0.035714286
## 415 NumSulfer -1.749552e-01 0.035714286
## 416 NumChlorine -2.876645e-01 0.035714286
## 417 HydrophilicFactor 6.221046e-02 0.035714286
## 418 SurfaceArea1 3.151803e-03 0.035714286
## 419 (Intercept) -2.501279e-01 0.028571429
## 420 FP011 1.378069e-01 0.028571429
## 421 FP026 7.739699e-02 0.028571429
## 422 FP031 9.922952e-02 0.028571429
## 423 FP033 1.327981e-01 0.028571429
## 424 FP034 -3.380669e-02 0.028571429
## 425 FP036 -2.585008e-03 0.028571429
## 426 FP037 6.747510e-02 0.028571429
## 427 FP039 -5.940920e-01 0.028571429
## 428 FP040 4.655161e-01 0.028571429
## 429 FP042 1.601806e-01 0.028571429
## 430 FP043 2.475131e-01 0.028571429
## 431 FP044 -4.397917e-01 0.028571429
## 432 FP050 -1.813260e-01 0.028571429
## 433 FP059 -5.143739e-01 0.028571429
## 434 FP063 4.952755e-01 0.028571429
## 435 FP065 -1.981171e-01 0.028571429
## 436 FP070 -2.224030e-02 0.028571429
## 437 FP072 4.717597e-01 0.028571429
## 438 FP073 2.012152e-02 0.028571429
## 439 FP074 1.934655e-01 0.028571429
## 440 FP080 4.846341e-02 0.028571429
## 441 FP081 -1.681745e-01 0.028571429
## 442 FP082 -4.879167e-02 0.028571429
## 443 FP085 -1.801925e-01 0.028571429
## 444 FP087 -1.972937e-04 0.028571429
## 445 FP088 7.472001e-02 0.028571429
## 446 FP094 -6.102709e-02 0.028571429
## 447 FP098 -9.723119e-03 0.028571429
## 448 FP101 2.125516e-01 0.028571429
## 449 FP102 2.020772e-02 0.028571429
## 450 FP111 -3.482184e-01 0.028571429
## 451 FP122 8.157156e-02 0.028571429
## 452 FP123 -5.582588e-02 0.028571429
## 453 FP124 1.381134e-01 0.028571429
## 454 FP126 -1.536557e-01 0.028571429
## 455 FP128 -8.886418e-02 0.028571429
## 456 FP135 3.139424e-01 0.028571429
## 457 FP136 2.487672e-01 0.028571429
## 458 FP138 1.193291e-02 0.028571429
## 459 FP142 5.198314e-01 0.028571429
## 460 FP144 6.721153e-02 0.028571429
## 461 FP145 -1.524779e-01 0.028571429
## 462 FP147 9.733447e-03 0.028571429
## 463 FP148 -6.896168e-02 0.028571429
## 464 FP154 -5.806013e-02 0.028571429
## 465 FP159 5.772718e-02 0.028571429
## 466 FP166 1.478550e-02 0.028571429
## 467 FP168 -3.305834e-02 0.028571429
## 468 FP171 6.281555e-03 0.028571429
## 469 FP172 -2.310248e-02 0.028571429
## 470 FP187 2.220438e-02 0.028571429
## 471 FP188 1.250827e-01 0.028571429
## 472 FP193 -1.123471e-01 0.028571429
## 473 FP198 7.291610e-02 0.028571429
## 474 FP202 1.927107e-01 0.028571429
## 475 FP204 -8.598326e-02 0.028571429
## 476 FP206 -2.280575e-01 0.028571429
## 477 FP207 1.448894e-01 0.028571429
## 478 MolWeight -6.522770e-03 0.028571429
## 479 NumMultBonds -6.676401e-02 0.028571429
## 480 NumRotBonds -8.454863e-02 0.028571429
## 481 NumCarbon -1.416245e-01 0.028571429
## 482 NumOxygen 2.785452e-01 0.028571429
## 483 NumSulfer -2.118510e-01 0.028571429
## 484 NumChlorine -2.858888e-01 0.028571429
## 485 HydrophilicFactor 5.264146e-02 0.028571429
## 486 SurfaceArea1 3.845632e-03 0.028571429
## 487 (Intercept) -2.585675e-01 0.021428571
## 488 FP002 3.299142e-03 0.021428571
## 489 FP011 1.149855e-01 0.021428571
## 490 FP021 7.678508e-03 0.021428571
## 491 FP026 1.255789e-01 0.021428571
## 492 FP029 -4.507956e-03 0.021428571
## 493 FP031 1.307108e-01 0.021428571
## 494 FP033 1.816229e-01 0.021428571
## 495 FP034 -8.403523e-02 0.021428571
## 496 FP036 -1.096302e-02 0.021428571
## 497 FP037 9.532706e-02 0.021428571
## 498 FP039 -6.254626e-01 0.021428571
## 499 FP040 5.164670e-01 0.021428571
## 500 FP042 2.076275e-01 0.021428571
## 501 FP043 2.423399e-01 0.021428571
## 502 FP044 -3.912145e-01 0.021428571
## 503 FP050 -1.928683e-01 0.021428571
## 504 FP053 9.196832e-04 0.021428571
## 505 FP059 -5.029331e-01 0.021428571
## 506 FP063 5.445375e-01 0.021428571
## 507 FP064 7.128256e-03 0.021428571
## 508 FP065 -1.957055e-01 0.021428571
## 509 FP070 -3.058371e-02 0.021428571
## 510 FP072 5.030015e-01 0.021428571
## 511 FP073 1.751753e-02 0.021428571
## 512 FP074 1.776686e-01 0.021428571
## 513 FP075 3.523145e-02 0.021428571
## 514 FP080 4.633420e-02 0.021428571
## 515 FP081 -2.151368e-01 0.021428571
## 516 FP082 -6.004156e-02 0.021428571
## 517 FP083 -2.205743e-03 0.021428571
## 518 FP085 -2.018236e-01 0.021428571
## 519 FP087 -5.278209e-02 0.021428571
## 520 FP088 9.445162e-02 0.021428571
## 521 FP091 3.045936e-02 0.021428571
## 522 FP094 -5.438110e-02 0.021428571
## 523 FP098 -7.881448e-02 0.021428571
## 524 FP101 2.291485e-01 0.021428571
## 525 FP102 3.062525e-02 0.021428571
## 526 FP103 -2.522121e-02 0.021428571
## 527 FP111 -4.118049e-01 0.021428571
## 528 FP122 1.146995e-01 0.021428571
## 529 FP123 -6.724518e-02 0.021428571
## 530 FP124 1.684072e-01 0.021428571
## 531 FP126 -2.091688e-01 0.021428571
## 532 FP128 -1.472119e-01 0.021428571
## 533 FP133 -9.618722e-03 0.021428571
## 534 FP135 2.934004e-01 0.021428571
## 535 FP136 2.731027e-01 0.021428571
## 536 FP138 4.344512e-02 0.021428571
## 537 FP142 5.090932e-01 0.021428571
## 538 FP144 6.322195e-02 0.021428571
## 539 FP145 -2.178625e-01 0.021428571
## 540 FP148 -1.121456e-01 0.021428571
## 541 FP154 -1.220748e-01 0.021428571
## 542 FP157 -2.296144e-02 0.021428571
## 543 FP159 9.582290e-02 0.021428571
## 544 FP166 5.766943e-02 0.021428571
## 545 FP168 -3.732095e-02 0.021428571
## 546 FP171 4.429942e-02 0.021428571
## 547 FP172 -2.917055e-02 0.021428571
## 548 FP176 9.715423e-04 0.021428571
## 549 FP187 6.903495e-02 0.021428571
## 550 FP188 1.686763e-01 0.021428571
## 551 FP193 -1.323497e-01 0.021428571
## 552 FP198 8.243416e-02 0.021428571
## 553 FP201 -7.712948e-02 0.021428571
## 554 FP202 2.348757e-01 0.021428571
## 555 FP203 9.457365e-05 0.021428571
## 556 FP204 -6.134821e-02 0.021428571
## 557 FP206 -2.082113e-01 0.021428571
## 558 FP207 2.263021e-01 0.021428571
## 559 MolWeight -6.342837e-03 0.021428571
## 560 NumMultBonds -7.247661e-02 0.021428571
## 561 NumRotBonds -9.796938e-02 0.021428571
## 562 NumCarbon -1.435915e-01 0.021428571
## 563 NumOxygen 2.962014e-01 0.021428571
## 564 NumSulfer -2.447435e-01 0.021428571
## 565 NumChlorine -2.862328e-01 0.021428571
## 566 HydrophilicFactor 3.494592e-02 0.021428571
## 567 SurfaceArea1 4.888368e-03 0.021428571
## 568 (Intercept) -2.236523e-01 0.014285714
## 569 FP002 6.560111e-03 0.014285714
## 570 FP004 -6.777543e-02 0.014285714
## 571 FP007 -2.359994e-02 0.014285714
## 572 FP011 5.279423e-02 0.014285714
## 573 FP015 -4.224957e-02 0.014285714
## 574 FP021 2.372095e-02 0.014285714
## 575 FP023 -2.962904e-02 0.014285714
## 576 FP026 1.861405e-01 0.014285714
## 577 FP029 -1.092416e-02 0.014285714
## 578 FP031 1.665278e-01 0.014285714
## 579 FP033 2.214496e-01 0.014285714
## 580 FP034 -1.330258e-01 0.014285714
## 581 FP036 -7.701900e-04 0.014285714
## 582 FP037 1.360463e-01 0.014285714
## 583 FP039 -6.022653e-01 0.014285714
## 584 FP040 5.426783e-01 0.014285714
## 585 FP042 1.959397e-01 0.014285714
## 586 FP043 2.596437e-01 0.014285714
## 587 FP044 -3.473143e-01 0.014285714
## 588 FP049 1.687216e-02 0.014285714
## 589 FP050 -2.030930e-01 0.014285714
## 590 FP053 6.469186e-02 0.014285714
## 591 FP059 -4.477461e-01 0.014285714
## 592 FP063 6.668877e-01 0.014285714
## 593 FP064 7.766908e-02 0.014285714
## 594 FP065 -2.291393e-01 0.014285714
## 595 FP070 -3.568270e-02 0.014285714
## 596 FP072 6.034191e-01 0.014285714
## 597 FP074 1.655694e-01 0.014285714
## 598 FP075 9.316991e-02 0.014285714
## 599 FP080 1.854504e-02 0.014285714
## 600 FP081 -2.530831e-01 0.014285714
## 601 FP082 -5.696751e-02 0.014285714
## 602 FP083 -7.332446e-02 0.014285714
## 603 FP085 -2.335606e-01 0.014285714
## 604 FP087 -1.200021e-01 0.014285714
## 605 FP088 1.069708e-01 0.014285714
## 606 FP089 2.067506e-02 0.014285714
## 607 FP091 1.085957e-01 0.014285714
## 608 FP094 -8.526664e-02 0.014285714
## 609 FP098 -1.307565e-01 0.014285714
## 610 FP099 5.206083e-02 0.014285714
## 611 FP100 -5.416419e-02 0.014285714
## 612 FP101 2.134737e-01 0.014285714
## 613 FP103 -6.677055e-02 0.014285714
## 614 FP104 -2.859557e-02 0.014285714
## 615 FP109 7.586823e-02 0.014285714
## 616 FP111 -4.594103e-01 0.014285714
## 617 FP113 2.091626e-02 0.014285714
## 618 FP122 1.393103e-01 0.014285714
## 619 FP123 -8.113074e-02 0.014285714
## 620 FP124 2.196920e-01 0.014285714
## 621 FP126 -2.947089e-01 0.014285714
## 622 FP128 -1.818642e-01 0.014285714
## 623 FP131 6.115139e-02 0.014285714
## 624 FP133 -8.751558e-02 0.014285714
## 625 FP135 2.733440e-01 0.014285714
## 626 FP136 2.657113e-01 0.014285714
## 627 FP138 6.137282e-02 0.014285714
## 628 FP142 5.152687e-01 0.014285714
## 629 FP144 1.298104e-01 0.014285714
## 630 FP145 -2.660677e-01 0.014285714
## 631 FP148 -1.654685e-01 0.014285714
## 632 FP149 9.169972e-03 0.014285714
## 633 FP154 -2.316905e-01 0.014285714
## 634 FP155 1.406391e-02 0.014285714
## 635 FP157 -4.673377e-02 0.014285714
## 636 FP159 1.353308e-01 0.014285714
## 637 FP161 -6.478305e-02 0.014285714
## 638 FP164 1.101384e-01 0.014285714
## 639 FP166 6.349399e-02 0.014285714
## 640 FP168 -7.801538e-02 0.014285714
## 641 FP171 1.073294e-01 0.014285714
## 642 FP172 -1.139548e-01 0.014285714
## 643 FP173 5.767917e-02 0.014285714
## 644 FP176 7.819678e-02 0.014285714
## 645 FP180 -2.914466e-03 0.014285714
## 646 FP184 1.108567e-01 0.014285714
## 647 FP186 -2.804234e-02 0.014285714
## 648 FP187 1.015557e-01 0.014285714
## 649 FP188 1.833661e-01 0.014285714
## 650 FP191 6.664619e-02 0.014285714
## 651 FP193 -1.336933e-01 0.014285714
## 652 FP196 3.285909e-02 0.014285714
## 653 FP198 6.181275e-03 0.014285714
## 654 FP201 -2.409674e-01 0.014285714
## 655 FP202 2.922776e-01 0.014285714
## 656 FP203 7.571599e-03 0.014285714
## 657 FP204 -1.927114e-02 0.014285714
## 658 FP206 -1.539656e-01 0.014285714
## 659 FP207 2.568312e-01 0.014285714
## 660 MolWeight -6.323653e-03 0.014285714
## 661 NumMultBonds -7.816035e-02 0.014285714
## 662 NumRotBonds -1.149851e-01 0.014285714
## 663 NumAromaticBonds -4.618011e-03 0.014285714
## 664 NumCarbon -1.475879e-01 0.014285714
## 665 NumOxygen 3.287764e-01 0.014285714
## 666 NumSulfer -2.674115e-01 0.014285714
## 667 NumChlorine -2.841235e-01 0.014285714
## 668 HydrophilicFactor 2.976591e-02 0.014285714
## 669 SurfaceArea1 5.414577e-03 0.014285714
## 670 (Intercept) -4.840529e-02 0.007142857
## 671 FP002 7.416933e-03 0.007142857
## 672 FP004 -2.272525e-01 0.007142857
## 673 FP007 -8.897261e-02 0.007142857
## 674 FP011 4.255955e-04 0.007142857
## 675 FP015 -1.476177e-01 0.007142857
## 676 FP017 -9.388393e-02 0.007142857
## 677 FP021 3.008015e-03 0.007142857
## 678 FP023 -2.270684e-01 0.007142857
## 679 FP024 -5.748382e-02 0.007142857
## 680 FP026 2.669359e-01 0.007142857
## 681 FP027 5.042784e-02 0.007142857
## 682 FP031 1.740764e-01 0.007142857
## 683 FP033 2.628659e-01 0.007142857
## 684 FP034 -1.969161e-01 0.007142857
## 685 FP037 1.384170e-01 0.007142857
## 686 FP039 -6.089259e-01 0.007142857
## 687 FP040 5.717429e-01 0.007142857
## 688 FP042 1.850620e-01 0.007142857
## 689 FP043 2.819073e-01 0.007142857
## 690 FP044 -3.592500e-01 0.007142857
## 691 FP045 8.711405e-03 0.007142857
## 692 FP049 4.999545e-02 0.007142857
## 693 FP050 -1.941774e-01 0.007142857
## 694 FP053 7.900067e-02 0.007142857
## 695 FP057 -4.517379e-03 0.007142857
## 696 FP059 -3.711621e-01 0.007142857
## 697 FP061 -2.047328e-02 0.007142857
## 698 FP063 7.506803e-01 0.007142857
## 699 FP064 1.600156e-01 0.007142857
## 700 FP065 -2.566642e-01 0.007142857
## 701 FP067 -1.032825e-03 0.007142857
## 702 FP070 -5.491292e-03 0.007142857
## 703 FP071 1.267616e-02 0.007142857
## 704 FP072 6.808552e-01 0.007142857
## 705 FP074 1.955437e-01 0.007142857
## 706 FP075 1.553432e-01 0.007142857
## 707 FP076 8.609822e-02 0.007142857
## 708 FP078 -5.781221e-02 0.007142857
## 709 FP080 3.174632e-03 0.007142857
## 710 FP081 -2.519396e-01 0.007142857
## 711 FP082 -7.108032e-02 0.007142857
## 712 FP083 -1.581886e-01 0.007142857
## 713 FP084 1.089961e-01 0.007142857
## 714 FP085 -2.604273e-01 0.007142857
## 715 FP087 -1.679384e-01 0.007142857
## 716 FP088 1.147469e-01 0.007142857
## 717 FP089 2.112364e-01 0.007142857
## 718 FP090 -2.190608e-02 0.007142857
## 719 FP091 1.404706e-01 0.007142857
## 720 FP093 3.783573e-03 0.007142857
## 721 FP094 -1.177252e-01 0.007142857
## 722 FP096 -9.764642e-02 0.007142857
## 723 FP098 -1.770563e-01 0.007142857
## 724 FP099 9.283419e-02 0.007142857
## 725 FP100 -1.885064e-01 0.007142857
## 726 FP101 9.024958e-02 0.007142857
## 727 FP103 -1.308763e-01 0.007142857
## 728 FP104 -8.518825e-02 0.007142857
## 729 FP109 1.854369e-01 0.007142857
## 730 FP111 -4.688714e-01 0.007142857
## 731 FP113 7.007630e-02 0.007142857
## 732 FP115 -4.505439e-02 0.007142857
## 733 FP119 2.151165e-02 0.007142857
## 734 FP121 -3.741719e-03 0.007142857
## 735 FP122 1.573947e-01 0.007142857
## 736 FP123 -9.651102e-02 0.007142857
## 737 FP124 2.762595e-01 0.007142857
## 738 FP125 -1.466633e-02 0.007142857
## 739 FP126 -4.071108e-01 0.007142857
## 740 FP127 -9.077343e-02 0.007142857
## 741 FP128 -1.349133e-01 0.007142857
## 742 FP131 1.398212e-01 0.007142857
## 743 FP133 -1.767372e-01 0.007142857
## 744 FP135 2.376866e-01 0.007142857
## 745 FP136 2.881411e-01 0.007142857
## 746 FP138 8.212673e-02 0.007142857
## 747 FP141 -3.319627e-02 0.007142857
## 748 FP142 4.978119e-01 0.007142857
## 749 FP143 1.273651e-02 0.007142857
## 750 FP144 1.670404e-01 0.007142857
## 751 FP145 -3.036441e-01 0.007142857
## 752 FP147 2.591783e-02 0.007142857
## 753 FP148 -1.890247e-01 0.007142857
## 754 FP149 3.433314e-03 0.007142857
## 755 FP150 4.885779e-02 0.007142857
## 756 FP152 -1.099726e-02 0.007142857
## 757 FP154 -4.008574e-01 0.007142857
## 758 FP155 5.003473e-02 0.007142857
## 759 FP157 -1.469327e-01 0.007142857
## 760 FP159 1.920545e-01 0.007142857
## 761 FP161 -1.765881e-01 0.007142857
## 762 FP163 1.294201e-01 0.007142857
## 763 FP164 3.186619e-01 0.007142857
## 764 FP166 2.288300e-02 0.007142857
## 765 FP167 -2.550930e-02 0.007142857
## 766 FP168 -9.570016e-02 0.007142857
## 767 FP169 -2.503982e-02 0.007142857
## 768 FP171 2.101322e-01 0.007142857
## 769 FP172 -2.444949e-01 0.007142857
## 770 FP173 2.206694e-01 0.007142857
## 771 FP174 -8.265445e-02 0.007142857
## 772 FP176 1.811475e-01 0.007142857
## 773 FP181 1.518448e-01 0.007142857
## 774 FP184 2.900161e-01 0.007142857
## 775 FP185 -3.403444e-02 0.007142857
## 776 FP186 -9.827892e-02 0.007142857
## 777 FP187 1.647529e-01 0.007142857
## 778 FP188 1.677569e-01 0.007142857
## 779 FP190 8.800316e-02 0.007142857
## 780 FP191 1.870037e-01 0.007142857
## 781 FP193 -1.309941e-01 0.007142857
## 782 FP196 5.526032e-02 0.007142857
## 783 FP201 -4.535246e-01 0.007142857
## 784 FP202 3.495258e-01 0.007142857
## 785 FP203 9.452524e-03 0.007142857
## 786 FP206 -8.550425e-02 0.007142857
## 787 FP207 2.105808e-01 0.007142857
## 788 MolWeight -6.542227e-03 0.007142857
## 789 NumMultBonds -8.833453e-03 0.007142857
## 790 NumRotBonds -1.254102e-01 0.007142857
## 791 NumAromaticBonds -1.013286e-01 0.007142857
## 792 NumCarbon -1.582167e-01 0.007142857
## 793 NumNitrogen 1.049869e-01 0.007142857
## 794 NumOxygen 4.320034e-01 0.007142857
## 795 NumSulfer -3.103672e-01 0.007142857
## 796 NumChlorine -2.976249e-01 0.007142857
## 797 HydrophilicFactor 5.203536e-02 0.007142857
## 798 SurfaceArea1 5.275524e-04 0.007142857
## 799 (Intercept) 2.193394e-02 0.000000000
## 800 FP001 1.426938e-01 0.000000000
## 801 FP002 1.315358e-01 0.000000000
## 802 FP003 -1.215428e-01 0.000000000
## 803 FP004 -4.422922e-01 0.000000000
## 804 FP005 -3.663077e-01 0.000000000
## 805 FP006 2.293197e-02 0.000000000
## 806 FP007 -9.161811e-02 0.000000000
## 807 FP008 2.258809e-02 0.000000000
## 808 FP009 -6.557791e-01 0.000000000
## 809 FP010 6.402225e-01 0.000000000
## 810 FP011 1.612968e-01 0.000000000
## 811 FP012 -1.369662e-01 0.000000000
## 812 FP013 -2.844289e-01 0.000000000
## 813 FP014 3.663097e-01 0.000000000
## 814 FP015 -4.071235e-01 0.000000000
## 815 FP016 4.316795e-02 0.000000000
## 816 FP017 -1.822960e-01 0.000000000
## 817 FP018 -5.026556e-01 0.000000000
## 818 FP019 6.385465e-02 0.000000000
## 819 FP020 -1.460801e-02 0.000000000
## 820 FP021 1.668459e-01 0.000000000
## 821 FP022 -8.230674e-02 0.000000000
## 822 FP023 -4.362278e-01 0.000000000
## 823 FP024 -5.330632e-01 0.000000000
## 824 FP025 1.662632e-01 0.000000000
## 825 FP026 3.343223e-01 0.000000000
## 826 FP027 3.276822e-02 0.000000000
## 827 FP028 6.421738e-02 0.000000000
## 828 FP029 -3.338057e-02 0.000000000
## 829 FP030 -2.000707e-01 0.000000000
## 830 FP031 2.187396e-01 0.000000000
## 831 FP032 -1.426084e+00 0.000000000
## 832 FP033 8.727537e-01 0.000000000
## 833 FP034 -3.613395e-01 0.000000000
## 834 FP035 -1.846349e-01 0.000000000
## 835 FP036 -2.198102e-02 0.000000000
## 836 FP037 5.665606e-02 0.000000000
## 837 FP038 2.322798e-01 0.000000000
## 838 FP039 -2.016608e-01 0.000000000
## 839 FP040 6.274271e-01 0.000000000
## 840 FP041 -2.269222e-01 0.000000000
## 841 FP042 -6.064338e-02 0.000000000
## 842 FP043 5.016250e-01 0.000000000
## 843 FP044 -4.288310e-01 0.000000000
## 844 FP045 1.295733e-01 0.000000000
## 845 FP046 -1.044080e-01 0.000000000
## 846 FP047 5.267355e-02 0.000000000
## 847 FP048 3.172054e-01 0.000000000
## 848 FP049 2.280204e-02 0.000000000
## 849 FP050 -1.472763e-01 0.000000000
## 850 FP051 2.577212e-01 0.000000000
## 851 FP052 -2.016823e-01 0.000000000
## 852 FP053 1.906548e-01 0.000000000
## 853 FP054 -2.777215e-02 0.000000000
## 854 FP055 -2.609467e-01 0.000000000
## 855 FP056 -2.743769e-01 0.000000000
## 856 FP057 -3.599286e-02 0.000000000
## 857 FP058 -1.021090e-02 0.000000000
## 858 FP059 -1.379361e-01 0.000000000
## 859 FP060 2.825060e-01 0.000000000
## 860 FP061 -5.850726e-02 0.000000000
## 861 FP062 -2.051520e-01 0.000000000
## 862 FP063 9.876895e-01 0.000000000
## 863 FP064 2.442325e-01 0.000000000
## 864 FP065 -2.264458e-01 0.000000000
## 865 FP066 1.970927e-01 0.000000000
## 866 FP067 -2.281091e-01 0.000000000
## 867 FP068 2.090221e-01 0.000000000
## 868 FP069 -3.510772e-02 0.000000000
## 869 FP070 3.879796e-02 0.000000000
## 870 FP071 1.690978e-01 0.000000000
## 871 FP072 7.506375e-01 0.000000000
## 872 FP073 -5.842311e-01 0.000000000
## 873 FP074 2.432155e-01 0.000000000
## 874 FP075 1.845315e-01 0.000000000
## 875 FP076 4.378716e-01 0.000000000
## 876 FP077 4.354981e-02 0.000000000
## 877 FP078 -2.996296e-01 0.000000000
## 878 FP079 5.220711e-01 0.000000000
## 879 FP080 1.564958e-01 0.000000000
## 880 FP081 -4.076971e-01 0.000000000
## 881 FP082 -9.870463e-02 0.000000000
## 882 FP083 -5.185753e-01 0.000000000
## 883 FP084 4.156791e-01 0.000000000
## 884 FP085 -4.341502e-01 0.000000000
## 885 FP086 -1.211018e-02 0.000000000
## 886 FP087 -4.745265e-01 0.000000000
## 887 FP088 2.588030e-01 0.000000000
## 888 FP089 2.720341e-01 0.000000000
## 889 FP090 -1.843800e-01 0.000000000
## 890 FP091 2.856238e-01 0.000000000
## 891 FP092 7.015352e-02 0.000000000
## 892 FP093 2.288643e-01 0.000000000
## 893 FP094 -2.287547e-01 0.000000000
## 894 FP095 3.027278e-03 0.000000000
## 895 FP096 -2.420300e-01 0.000000000
## 896 FP097 -3.996047e-01 0.000000000
## 897 FP098 -2.705740e-01 0.000000000
## 898 FP099 3.022182e-02 0.000000000
## 899 FP100 -5.027921e-01 0.000000000
## 900 FP101 -2.018091e-01 0.000000000
## 901 FP102 2.205234e-02 0.000000000
## 902 FP103 -1.704848e-01 0.000000000
## 903 FP104 -2.016366e-01 0.000000000
## 904 FP105 -1.585791e-01 0.000000000
## 905 FP106 -5.600092e-02 0.000000000
## 906 FP107 3.998103e-01 0.000000000
## 907 FP108 -1.765679e-01 0.000000000
## 908 FP109 7.269407e-01 0.000000000
## 909 FP110 3.000279e-01 0.000000000
## 910 FP111 -6.332609e-01 0.000000000
## 911 FP112 1.714558e-01 0.000000000
## 912 FP113 1.466016e-01 0.000000000
## 913 FP114 -6.325002e-02 0.000000000
## 914 FP115 -2.730606e-01 0.000000000
## 915 FP116 -7.734871e-02 0.000000000
## 916 FP117 3.593067e-01 0.000000000
## 917 FP118 -1.754616e-01 0.000000000
## 918 FP119 4.301017e-01 0.000000000
## 919 FP120 -1.238336e-01 0.000000000
## 920 FP121 -1.092087e-01 0.000000000
## 921 FP122 1.674903e-01 0.000000000
## 922 FP123 -6.601839e-02 0.000000000
## 923 FP124 2.214294e-01 0.000000000
## 924 FP125 -6.228919e-02 0.000000000
## 925 FP126 -5.517763e-01 0.000000000
## 926 FP127 -4.660884e-01 0.000000000
## 927 FP128 -2.192147e-01 0.000000000
## 928 FP129 -8.783064e-02 0.000000000
## 929 FP130 -4.574907e-01 0.000000000
## 930 FP131 1.959198e-01 0.000000000
## 931 FP132 -9.527640e-02 0.000000000
## 932 FP133 -2.825513e-01 0.000000000
## 933 FP134 -7.027954e-02 0.000000000
## 934 FP135 2.285841e-01 0.000000000
## 935 FP136 7.952941e-02 0.000000000
## 936 FP137 -2.815941e-01 0.000000000
## 937 FP138 -3.236285e-02 0.000000000
## 938 FP139 -2.880371e-01 0.000000000
## 939 FP140 1.297168e-01 0.000000000
## 940 FP141 1.877108e-01 0.000000000
## 941 FP142 6.563189e-01 0.000000000
## 942 FP143 7.239051e-01 0.000000000
## 943 FP144 4.605315e-01 0.000000000
## 944 FP145 -3.940787e-01 0.000000000
## 945 FP146 -1.204607e-01 0.000000000
## 946 FP147 1.768744e-01 0.000000000
## 947 FP148 -2.436589e-01 0.000000000
## 948 FP149 -4.346940e-02 0.000000000
## 949 FP150 7.459588e-02 0.000000000
## 950 FP151 2.605032e-01 0.000000000
## 951 FP152 -3.217999e-01 0.000000000
## 952 FP153 -1.958607e-04 0.000000000
## 953 FP154 -7.972811e-01 0.000000000
## 954 FP155 1.792845e-01 0.000000000
## 955 FP156 -3.434984e-01 0.000000000
## 956 FP157 -5.585370e-01 0.000000000
## 957 FP158 2.615889e-01 0.000000000
## 958 FP159 2.542633e-01 0.000000000
## 959 FP160 6.618558e-02 0.000000000
## 960 FP161 -3.725504e-01 0.000000000
## 961 FP162 -4.538688e-03 0.000000000
## 962 FP163 4.583467e-01 0.000000000
## 963 FP164 6.127707e-01 0.000000000
## 964 FP165 3.809326e-01 0.000000000
## 965 FP166 -3.797987e-02 0.000000000
## 966 FP167 -5.899706e-01 0.000000000
## 967 FP168 -5.950350e-02 0.000000000
## 968 FP169 -7.645834e-02 0.000000000
## 969 FP170 -1.937327e-01 0.000000000
## 970 FP171 3.752506e-01 0.000000000
## 971 FP172 -3.243283e-01 0.000000000
## 972 FP173 4.620550e-01 0.000000000
## 973 FP174 -1.828414e-01 0.000000000
## 974 FP175 7.121533e-02 0.000000000
## 975 FP176 6.368830e-01 0.000000000
## 976 FP177 -7.113324e-02 0.000000000
## 977 FP178 3.152931e-01 0.000000000
## 978 FP179 -1.288382e-01 0.000000000
## 979 FP180 -5.108862e-01 0.000000000
## 980 FP181 5.248522e-01 0.000000000
## 981 FP182 6.964773e-02 0.000000000
## 982 FP183 4.981912e-01 0.000000000
## 983 FP184 3.835461e-01 0.000000000
## 984 FP185 -2.236324e-01 0.000000000
## 985 FP186 -1.850823e-01 0.000000000
## 986 FP187 6.630222e-01 0.000000000
## 987 FP188 1.766957e-01 0.000000000
## 988 FP189 -3.784421e-01 0.000000000
## 989 FP190 5.550108e-02 0.000000000
## 990 FP191 1.990202e-01 0.000000000
## 991 FP192 -2.420766e-01 0.000000000
## 992 FP193 1.167013e-01 0.000000000
## 993 FP194 1.754226e-01 0.000000000
## 994 FP195 6.157227e-02 0.000000000
## 995 FP196 4.965790e-01 0.000000000
## 996 FP197 4.292524e-02 0.000000000
## 997 FP198 7.942520e-02 0.000000000
## 998 FP199 -7.069462e-02 0.000000000
## 999 FP200 -1.514611e-01 0.000000000
## 1000 FP201 -4.289288e-01 0.000000000
## 1001 FP202 6.017386e-01 0.000000000
## 1002 FP203 3.159082e-01 0.000000000
## 1003 FP204 -2.528466e-01 0.000000000
## 1004 FP205 1.390223e-01 0.000000000
## 1005 FP206 -8.653734e-02 0.000000000
## 1006 FP207 1.005378e-01 0.000000000
## 1007 FP208 -4.101280e-01 0.000000000
## 1008 MolWeight -4.389371e-03 0.000000000
## 1009 NumAtoms 2.283079e-02 0.000000000
## 1010 NumNonHAtoms -3.614042e-02 0.000000000
## 1011 NumBonds 8.283214e-03 0.000000000
## 1012 NumNonHBonds -3.557503e-02 0.000000000
## 1013 NumMultBonds 9.164702e-02 0.000000000
## 1014 NumRotBonds -1.974381e-01 0.000000000
## 1015 NumDblBonds 1.029680e-01 0.000000000
## 1016 NumAromaticBonds -2.022454e-01 0.000000000
## 1017 NumHydrogen -3.941778e-03 0.000000000
## 1018 NumCarbon -2.011043e-01 0.000000000
## 1019 NumNitrogen 5.778495e-01 0.000000000
## 1020 NumOxygen 8.034092e-01 0.000000000
## 1021 NumSulfer -2.572576e-01 0.000000000
## 1022 NumChlorine -3.982147e-01 0.000000000
## 1023 NumHalogen 3.851172e-02 0.000000000
## 1024 NumRings -4.803036e-02 0.000000000
## 1025 HydrophilicFactor 8.600933e-02 0.000000000
## 1026 SurfaceArea1 -1.458555e-02 0.000000000
## 1027 SurfaceArea2 -2.716175e-03 0.000000000ggplot(ridgebetadf, aes(x=lambda, y=coefficient)) + geom_line(aes(group=name, col=name), alpha=.5) + theme(legend.position="none") 
I’ve adjusted alpha to show the concentrations better.
4.4 Lasso
#just for reference for the enetgrid used if I was using elasticnet
#enetGrid <- expand.grid(.lambda = c(0, 0.01, .1),fraction = seq(.05, 1, length = 20))#Set a random seed
set.seed(123)
#Perform the model building process for Ridge
lasso_fit <- cv.glmnet(x=as.matrix(solTrainX), y=solTrainY,family="gaussian",alpha=0,
type.measure="mse", nfolds = 10, lambda = seq(0,1, by = .01),
standardize=TRUE)
#Print this object
print(lasso_fit)## $lambda
## [1] 1.00 0.99 0.98 0.97 0.96 0.95 0.94 0.93 0.92 0.91 0.90 0.89 0.88 0.87
## [15] 0.86 0.85 0.84 0.83 0.82 0.81 0.80 0.79 0.78 0.77 0.76 0.75 0.74 0.73
## [29] 0.72 0.71 0.70 0.69 0.68 0.67 0.66 0.65 0.64 0.63 0.62 0.61 0.60 0.59
## [43] 0.58 0.57 0.56 0.55 0.54 0.53 0.52 0.51 0.50 0.49 0.48 0.47 0.46 0.45
## [57] 0.44 0.43 0.42 0.41 0.40 0.39 0.38 0.37 0.36 0.35 0.34 0.33 0.32 0.31
## [71] 0.30 0.29 0.28 0.27 0.26 0.25 0.24 0.23 0.22 0.21 0.20 0.19 0.18 0.17
## [85] 0.16 0.15 0.14 0.13 0.12 0.11 0.10 0.09 0.08 0.07 0.06 0.05 0.04 0.03
## [99] 0.02 0.01 0.00
##
## $cvm
## [1] 0.5720384 0.5709252 0.5696063 0.5681789 0.5668816 0.5655289 0.5641908
## [8] 0.5628828 0.5615781 0.5603783 0.5591378 0.5581011 0.5569791 0.5559294
## [15] 0.5548685 0.5537682 0.5526623 0.5515332 0.5503781 0.5492002 0.5480013
## [22] 0.5467834 0.5455577 0.5442795 0.5429975 0.5417402 0.5404421 0.5391260
## [29] 0.5378677 0.5365625 0.5353228 0.5340231 0.5328726 0.5315529 0.5303272
## [36] 0.5290972 0.5277820 0.5266042 0.5252873 0.5239761 0.5227030 0.5213884
## [43] 0.5200742 0.5187525 0.5174211 0.5160811 0.5147343 0.5133828 0.5120279
## [50] 0.5106702 0.5093099 0.5079466 0.5065797 0.5052083 0.5038317 0.5024225
## [57] 0.5009645 0.4995841 0.4980992 0.4967193 0.4952299 0.4937841 0.4923282
## [64] 0.4908585 0.4894072 0.4879578 0.4865007 0.4850113 0.4835213 0.4819851
## [71] 0.4804885 0.4789306 0.4774193 0.4758922 0.4743932 0.4728646 0.4713311
## [78] 0.4697698 0.4682439 0.4667534 0.4652466 0.4637275 0.4622720 0.4608203
## [85] 0.4593884 0.4580449 0.4567221 0.4554872 0.4542840 0.4532809 0.4523821
## [92] 0.4517070 0.4512312 0.4511786 0.4515903 0.4527094 0.4548480 0.4586732
## [99] 0.4655505 0.4787457 0.5228495
##
## $cvsd
## [1] 0.02714763 0.02698466 0.02692221 0.02681986 0.02669052 0.02656203
## [7] 0.02642658 0.02629839 0.02616367 0.02607097 0.02597364 0.02588614
## [13] 0.02580014 0.02571555 0.02563309 0.02555166 0.02547088 0.02538137
## [19] 0.02528989 0.02519553 0.02509851 0.02499920 0.02489946 0.02477915
## [25] 0.02467930 0.02456917 0.02447403 0.02437451 0.02428392 0.02419093
## [31] 0.02410224 0.02400904 0.02393187 0.02384237 0.02376185 0.02367188
## [37] 0.02358916 0.02351082 0.02342488 0.02334771 0.02326865 0.02318671
## [43] 0.02310555 0.02302559 0.02294719 0.02287065 0.02279618 0.02272389
## [49] 0.02265385 0.02258606 0.02252051 0.02245716 0.02239601 0.02233705
## [55] 0.02228032 0.02221115 0.02216857 0.02211631 0.02208027 0.02202541
## [61] 0.02198281 0.02194440 0.02191707 0.02188913 0.02186625 0.02184731
## [67] 0.02183093 0.02180506 0.02180776 0.02180235 0.02180752 0.02181466
## [73] 0.02183607 0.02185516 0.02188463 0.02191061 0.02195946 0.02201727
## [79] 0.02207863 0.02214676 0.02222152 0.02232140 0.02242338 0.02253183
## [85] 0.02267203 0.02281638 0.02298152 0.02315093 0.02334672 0.02355137
## [91] 0.02377838 0.02402317 0.02429295 0.02457000 0.02487044 0.02519161
## [97] 0.02552687 0.02584599 0.02610894 0.02627419 0.02822063
##
## $cvup
## [1] 0.5991860 0.5979098 0.5965285 0.5949988 0.5935721 0.5920909 0.5906174
## [8] 0.5891812 0.5877417 0.5864493 0.5851115 0.5839873 0.5827792 0.5816450
## [15] 0.5805016 0.5793198 0.5781332 0.5769145 0.5756679 0.5743957 0.5730998
## [22] 0.5717826 0.5704572 0.5690586 0.5676768 0.5663094 0.5649161 0.5635005
## [29] 0.5621517 0.5607534 0.5594250 0.5580322 0.5568045 0.5553953 0.5540891
## [36] 0.5527691 0.5513712 0.5501150 0.5487122 0.5473238 0.5459717 0.5445751
## [43] 0.5431797 0.5417781 0.5403683 0.5389517 0.5375305 0.5361067 0.5346817
## [50] 0.5332563 0.5318304 0.5304038 0.5289757 0.5275453 0.5261120 0.5246337
## [57] 0.5231331 0.5217005 0.5201795 0.5187447 0.5172127 0.5157285 0.5142453
## [64] 0.5127476 0.5112734 0.5098051 0.5083316 0.5068163 0.5053291 0.5037874
## [71] 0.5022961 0.5007452 0.4992554 0.4977474 0.4962778 0.4947752 0.4932906
## [78] 0.4917870 0.4903225 0.4889001 0.4874681 0.4860489 0.4846954 0.4833521
## [85] 0.4820605 0.4808613 0.4797036 0.4786381 0.4776307 0.4768322 0.4761605
## [92] 0.4757301 0.4755242 0.4757486 0.4764608 0.4779010 0.4803748 0.4845192
## [99] 0.4916595 0.5050199 0.5510701
##
## $cvlo
## [1] 0.5448908 0.5439405 0.5426841 0.5413591 0.5401911 0.5389669 0.5377642
## [8] 0.5365844 0.5354144 0.5343073 0.5331642 0.5322150 0.5311790 0.5302139
## [15] 0.5292354 0.5282165 0.5271914 0.5261518 0.5250882 0.5240047 0.5229028
## [22] 0.5217842 0.5206582 0.5195003 0.5183182 0.5171710 0.5159680 0.5147515
## [29] 0.5135838 0.5123715 0.5112206 0.5100141 0.5089407 0.5077106 0.5065654
## [36] 0.5054253 0.5041929 0.5030934 0.5018625 0.5006284 0.4994344 0.4982016
## [43] 0.4969686 0.4957269 0.4944739 0.4932104 0.4919382 0.4906589 0.4893740
## [50] 0.4880842 0.4867894 0.4854895 0.4841836 0.4828712 0.4815514 0.4802114
## [57] 0.4787960 0.4774678 0.4760189 0.4746939 0.4732471 0.4718397 0.4704111
## [64] 0.4689693 0.4675409 0.4661105 0.4646698 0.4632062 0.4617136 0.4601827
## [71] 0.4586810 0.4571159 0.4555833 0.4540370 0.4525086 0.4509540 0.4493717
## [78] 0.4477525 0.4461652 0.4446066 0.4430251 0.4414061 0.4398486 0.4382885
## [85] 0.4367164 0.4352286 0.4337405 0.4323362 0.4309373 0.4297295 0.4286037
## [92] 0.4276838 0.4269383 0.4266086 0.4267199 0.4275178 0.4293211 0.4328272
## [99] 0.4394416 0.4524715 0.4946288
##
## $nzero
## s0 s1 s2 s3 s4 s5 s6 s7 s8 s9 s10 s11 s12 s13 s14
## 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228
## s15 s16 s17 s18 s19 s20 s21 s22 s23 s24 s25 s26 s27 s28 s29
## 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228
## s30 s31 s32 s33 s34 s35 s36 s37 s38 s39 s40 s41 s42 s43 s44
## 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228
## s45 s46 s47 s48 s49 s50 s51 s52 s53 s54 s55 s56 s57 s58 s59
## 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228
## s60 s61 s62 s63 s64 s65 s66 s67 s68 s69 s70 s71 s72 s73 s74
## 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228
## s75 s76 s77 s78 s79 s80 s81 s82 s83 s84 s85 s86 s87 s88 s89
## 228 228 228 228 228 228 228 228 228 228 228 228 228 228 228
## s90 s91 s92 s93 s94 s95 s96 s97 s98 s99 s100
## 228 228 228 228 228 228 228 228 228 228 228
##
## $name
## mse
## "Mean-Squared Error"
##
## $glmnet.fit
##
## Call: glmnet(x = as.matrix(solTrainX), y = solTrainY, lambda = seq(0, 1, by = 0.01), family = "gaussian", alpha = 0, standardize = TRUE)
##
## Df %Dev Lambda
## [1,] 228 0.8872 1.00
## [2,] 228 0.8876 0.99
## [3,] 228 0.8879 0.98
## [4,] 228 0.8883 0.97
## [5,] 228 0.8887 0.96
## [6,] 228 0.8890 0.95
## [7,] 228 0.8894 0.94
## [8,] 228 0.8898 0.93
## [9,] 228 0.8901 0.92
## [10,] 228 0.8905 0.91
## [11,] 228 0.8908 0.90
## [12,] 228 0.8912 0.89
## [13,] 228 0.8915 0.88
## [14,] 228 0.8919 0.87
## [15,] 228 0.8922 0.86
## [16,] 228 0.8926 0.85
## [17,] 228 0.8929 0.84
## [18,] 228 0.8933 0.83
## [19,] 228 0.8936 0.82
## [20,] 228 0.8940 0.81
## [21,] 228 0.8944 0.80
## [22,] 228 0.8948 0.79
## [23,] 228 0.8951 0.78
## [24,] 228 0.8955 0.77
## [25,] 228 0.8959 0.76
## [26,] 228 0.8963 0.75
## [27,] 228 0.8967 0.74
## [28,] 228 0.8971 0.73
## [29,] 228 0.8975 0.72
## [30,] 228 0.8979 0.71
## [31,] 228 0.8983 0.70
## [32,] 228 0.8987 0.69
## [33,] 228 0.8990 0.68
## [34,] 228 0.8995 0.67
## [35,] 228 0.8998 0.66
## [36,] 228 0.9003 0.65
## [37,] 228 0.9007 0.64
## [38,] 228 0.9011 0.63
## [39,] 228 0.9015 0.62
## [40,] 228 0.9020 0.61
## [41,] 228 0.9024 0.60
## [42,] 228 0.9028 0.59
## [43,] 228 0.9032 0.58
## [44,] 228 0.9037 0.57
## [45,] 228 0.9041 0.56
## [46,] 228 0.9045 0.55
## [47,] 228 0.9050 0.54
## [48,] 228 0.9054 0.53
## [49,] 228 0.9059 0.52
## [50,] 228 0.9064 0.51
## [51,] 228 0.9068 0.50
## [52,] 228 0.9073 0.49
## [53,] 228 0.9078 0.48
## [54,] 228 0.9082 0.47
## [55,] 228 0.9087 0.46
## [56,] 228 0.9092 0.45
## [57,] 228 0.9097 0.44
## [58,] 228 0.9102 0.43
## [59,] 228 0.9107 0.42
## [60,] 228 0.9113 0.41
## [61,] 228 0.9117 0.40
## [62,] 228 0.9123 0.39
## [63,] 228 0.9128 0.38
## [64,] 228 0.9134 0.37
## [65,] 228 0.9139 0.36
## [66,] 228 0.9144 0.35
## [67,] 228 0.9150 0.34
## [68,] 228 0.9155 0.33
## [69,] 228 0.9161 0.32
## [70,] 228 0.9167 0.31
## [71,] 228 0.9173 0.30
## [72,] 228 0.9179 0.29
## [73,] 228 0.9185 0.28
## [74,] 228 0.9192 0.27
## [75,] 228 0.9198 0.26
## [76,] 228 0.9204 0.25
## [77,] 228 0.9211 0.24
## [78,] 228 0.9217 0.23
## [79,] 228 0.9224 0.22
## [80,] 228 0.9231 0.21
## [81,] 228 0.9238 0.20
## [82,] 228 0.9246 0.19
## [83,] 228 0.9253 0.18
## [84,] 228 0.9260 0.17
## [85,] 228 0.9268 0.16
## [86,] 228 0.9276 0.15
## [87,] 228 0.9284 0.14
## [88,] 228 0.9292 0.13
## [89,] 228 0.9301 0.12
## [90,] 228 0.9310 0.11
## [91,] 228 0.9319 0.10
## [92,] 228 0.9328 0.09
## [93,] 228 0.9337 0.08
## [94,] 228 0.9347 0.07
## [95,] 228 0.9358 0.06
## [96,] 228 0.9368 0.05
## [97,] 228 0.9380 0.04
## [98,] 228 0.9391 0.03
## [99,] 228 0.9403 0.02
## [100,] 228 0.9417 0.01
## [101,] 228 0.9431 0.00
##
## $lambda.min
## [1] 0.07
##
## $lambda.1se
## [1] 0.26
##
## attr(,"class")
## [1] "cv.glmnet"#Plot the RMSEs against the values of the tuning parameter lambda
RMSE <- (lasso_fit$cvm)**.5
EvL <- data.frame(RMSE, lasso_fit$lambda)
names(EvL) <- c('RMSE', 'Lambda')
ggplot(EvL, aes(x=Lambda, y=RMSE)) + geom_point() + geom_line(col="blue")
#What is the value of lambda that gives the minimum RMSE value?
lasso_fit$lambda.min## [1] 0.07#Make a plot of the regression coefficient paths
#Code partially found from stack overflow
lambdas <- length(lasso_fit$lambda)
tmp_coeffs <- coef(lasso_fit, s = lasso_fit$lambda[1])
lassobetadf <- data.frame(name = tmp_coeffs@Dimnames[[1]][tmp_coeffs@i + 1], coefficient = tmp_coeffs@x)
lassobetadf['lambda'] <- rep(lasso_fit$lambda[1], nrow(lassobetadf))
for (i in c(2: lambdas)) {
tmp_coeffs <- coef(ridge_fit, s = lasso_fit$lambda[i])
new <- data.frame(name = tmp_coeffs@Dimnames[[1]][tmp_coeffs@i + 1], coefficient = tmp_coeffs@x)
new['lambda'] <- rep(lasso_fit$lambda[i], nrow(new))
lassobetadf <- rbind(lassobetadf, new)
}
lassobetadf## name coefficient lambda
## 1 (Intercept) -0.4506697697 1.00
## 2 FP001 0.0403174461 1.00
## 3 FP002 0.0114994944 1.00
## 4 FP003 -0.0390837759 1.00
## 5 FP004 0.0282699545 1.00
## 6 FP005 -0.0762999042 1.00
## 7 FP006 0.0541285946 1.00
## 8 FP007 -0.0164819258 1.00
## 9 FP008 -0.0278913064 1.00
## 10 FP009 -0.0821035381 1.00
## 11 FP010 0.0483640458 1.00
## 12 FP011 0.1221902032 1.00
## 13 FP012 0.0066022948 1.00
## 14 FP013 -0.0989441456 1.00
## 15 FP014 -0.0486883750 1.00
## 16 FP015 0.0291734612 1.00
## 17 FP016 -0.0245785868 1.00
## 18 FP017 -0.0624484037 1.00
## 19 FP018 -0.0483150363 1.00
## 20 FP019 0.0946346046 1.00
## 21 FP020 0.0424515271 1.00
## 22 FP021 -0.0275110466 1.00
## 23 FP022 0.0887347888 1.00
## 24 FP023 -0.0901961063 1.00
## 25 FP024 0.0146383921 1.00
## 26 FP025 -0.0217754368 1.00
## 27 FP026 0.0988668753 1.00
## 28 FP027 0.1031613873 1.00
## 29 FP028 0.0790477582 1.00
## 30 FP029 -0.0705403762 1.00
## 31 FP030 -0.0089227208 1.00
## 32 FP031 0.1558372308 1.00
## 33 FP032 0.0521370960 1.00
## 34 FP033 0.1311988397 1.00
## 35 FP034 -0.1588950737 1.00
## 36 FP035 -0.0089501103 1.00
## 37 FP036 -0.0027302231 1.00
## 38 FP037 0.1528779542 1.00
## 39 FP038 0.0163536581 1.00
## 40 FP039 -0.3351757015 1.00
## 41 FP040 0.3319312864 1.00
## 42 FP041 0.0383262662 1.00
## 43 FP042 0.0923065368 1.00
## 44 FP043 0.2687337080 1.00
## 45 FP044 -0.4527074701 1.00
## 46 FP045 -0.0729987602 1.00
## 47 FP046 0.0391567263 1.00
## 48 FP047 -0.0362893492 1.00
## 49 FP048 -0.0619709100 1.00
## 50 FP049 0.1061608153 1.00
## 51 FP050 -0.1350082346 1.00
## 52 FP051 -0.0010387482 1.00
## 53 FP052 0.0431081438 1.00
## 54 FP053 0.1150587433 1.00
## 55 FP054 -0.0544802688 1.00
## 56 FP055 0.0635894581 1.00
## 57 FP056 -0.2422306300 1.00
## 58 FP057 -0.0187362109 1.00
## 59 FP058 0.0134935807 1.00
## 60 FP059 -0.4008920807 1.00
## 61 FP060 0.1227493509 1.00
## 62 FP061 -0.0109686670 1.00
## 63 FP062 0.0569742260 1.00
## 64 FP063 0.1952673208 1.00
## 65 FP064 0.0077724640 1.00
## 66 FP065 -0.1471163926 1.00
## 67 FP066 0.0649956411 1.00
## 68 FP067 0.0114349493 1.00
## 69 FP068 0.0378891730 1.00
## 70 FP069 -0.0032401497 1.00
## 71 FP070 -0.1978922159 1.00
## 72 FP071 -0.0288877562 1.00
## 73 FP072 0.2758485346 1.00
## 74 FP073 0.1024581658 1.00
## 75 FP074 0.1644192078 1.00
## 76 FP075 0.1211217432 1.00
## 77 FP076 -0.1341841086 1.00
## 78 FP077 0.0032742098 1.00
## 79 FP078 0.0079179841 1.00
## 80 FP079 -0.0536311057 1.00
## 81 FP080 0.0682238204 1.00
## 82 FP081 -0.1003771473 1.00
## 83 FP082 -0.1311589216 1.00
## 84 FP083 -0.0352259195 1.00
## 85 FP084 0.1591658494 1.00
## 86 FP085 -0.1334760336 1.00
## 87 FP086 -0.0444556967 1.00
## 88 FP087 -0.1074041358 1.00
## 89 FP088 0.1203017307 1.00
## 90 FP089 -0.1784700716 1.00
## 91 FP090 -0.0363988507 1.00
## 92 FP091 0.0382500274 1.00
## 93 FP092 -0.0760805531 1.00
## 94 FP093 -0.0375026072 1.00
## 95 FP094 -0.0797703574 1.00
## 96 FP095 0.0295398522 1.00
## 97 FP096 0.0257892258 1.00
## 98 FP097 -0.0227617460 1.00
## 99 FP098 -0.0369336246 1.00
## 100 FP099 0.0253811353 1.00
## 101 FP100 -0.0246346914 1.00
## 102 FP101 0.1592692884 1.00
## 103 FP102 0.0524800419 1.00
## 104 FP103 -0.1087158740 1.00
## 105 FP104 -0.1074382875 1.00
## 106 FP105 -0.0527962910 1.00
## 107 FP106 -0.0634828986 1.00
## 108 FP107 -0.0676200670 1.00
## 109 FP108 0.0183472991 1.00
## 110 FP109 0.0438144072 1.00
## 111 FP110 -0.0267007746 1.00
## 112 FP111 -0.2140170674 1.00
## 113 FP112 -0.0993252735 1.00
## 114 FP113 0.0310555820 1.00
## 115 FP114 -0.0006185999 1.00
## 116 FP115 0.0681221260 1.00
## 117 FP116 0.1376959404 1.00
## 118 FP117 -0.0836899721 1.00
## 119 FP118 0.0198573666 1.00
## 120 FP119 0.0414585622 1.00
## 121 FP120 0.0621457744 1.00
## 122 FP121 0.0005797482 1.00
## 123 FP122 0.1179735864 1.00
## 124 FP123 -0.1372060827 1.00
## 125 FP124 0.1673694457 1.00
## 126 FP125 0.0387827687 1.00
## 127 FP126 -0.1497236359 1.00
## 128 FP127 -0.1007724756 1.00
## 129 FP128 -0.0567680646 1.00
## 130 FP129 0.0181139289 1.00
## 131 FP130 0.0005312363 1.00
## 132 FP131 0.0706062100 1.00
## 133 FP132 0.0422476253 1.00
## 134 FP133 -0.0916251537 1.00
## 135 FP134 -0.1105495422 1.00
## 136 FP135 0.1880500539 1.00
## 137 FP136 0.1590042199 1.00
## 138 FP137 0.0753718886 1.00
## 139 FP138 0.1279350579 1.00
## 140 FP139 0.0809072991 1.00
## 141 FP140 0.0403817360 1.00
## 142 FP141 -0.1465201826 1.00
## 143 FP142 0.2774404303 1.00
## 144 FP143 0.0746371012 1.00
## 145 FP144 0.0731386922 1.00
## 146 FP145 -0.1519513000 1.00
## 147 FP146 -0.1177016475 1.00
## 148 FP147 0.1781567060 1.00
## 149 FP148 -0.0423715355 1.00
## 150 FP149 -0.1061465247 1.00
## 151 FP150 0.0048316350 1.00
## 152 FP151 0.1417811872 1.00
## 153 FP152 -0.1035027000 1.00
## 154 FP153 0.0073832680 1.00
## 155 FP154 -0.1977974004 1.00
## 156 FP155 0.0306730549 1.00
## 157 FP156 -0.0674686135 1.00
## 158 FP157 0.0570544596 1.00
## 159 FP158 0.0056518935 1.00
## 160 FP159 0.1440368516 1.00
## 161 FP160 -0.0636227162 1.00
## 162 FP161 -0.0554296461 1.00
## 163 FP162 0.0017655251 1.00
## 164 FP163 0.1007638576 1.00
## 165 FP164 0.0411903353 1.00
## 166 FP165 -0.0432512683 1.00
## 167 FP166 0.0965705796 1.00
## 168 FP167 -0.0041548408 1.00
## 169 FP168 -0.1417774321 1.00
## 170 FP169 -0.0862935479 1.00
## 171 FP170 0.0356055203 1.00
## 172 FP171 0.0307375172 1.00
## 173 FP172 -0.1387449418 1.00
## 174 FP173 0.1164442046 1.00
## 175 FP174 -0.0001265448 1.00
## 176 FP175 -0.0833925705 1.00
## 177 FP176 0.1400234363 1.00
## 178 FP177 -0.0803284730 1.00
## 179 FP178 -0.0793482142 1.00
## 180 FP179 0.0494245631 1.00
## 181 FP180 -0.0503370251 1.00
## 182 FP181 0.0505274813 1.00
## 183 FP182 -0.0116513301 1.00
## 184 FP183 0.0717885302 1.00
## 185 FP184 0.0390106738 1.00
## 186 FP185 -0.0183677714 1.00
## 187 FP186 0.0054790223 1.00
## 188 FP187 0.0434592119 1.00
## 189 FP188 0.2077890468 1.00
## 190 FP189 0.0613999202 1.00
## 191 FP190 0.0966097046 1.00
## 192 FP191 0.0305913577 1.00
## 193 FP192 0.0181246070 1.00
## 194 FP193 -0.1981393385 1.00
## 195 FP194 0.0655026368 1.00
## 196 FP195 0.0281634711 1.00
## 197 FP196 0.0827920069 1.00
## 198 FP197 0.0090052965 1.00
## 199 FP198 0.0933746398 1.00
## 200 FP199 -0.0461351395 1.00
## 201 FP200 -0.0217133168 1.00
## 202 FP201 -0.0781038926 1.00
## 203 FP202 0.0824707429 1.00
## 204 FP203 0.0388208664 1.00
## 205 FP204 -0.1342716742 1.00
## 206 FP205 -0.1147541978 1.00
## 207 FP206 -0.2675641464 1.00
## 208 FP207 0.0823044012 1.00
## 209 FP208 0.0121155313 1.00
## 210 MolWeight -0.0021959289 1.00
## 211 NumAtoms -0.0095304377 1.00
## 212 NumNonHAtoms -0.0223960417 1.00
## 213 NumBonds -0.0089772106 1.00
## 214 NumNonHBonds -0.0186900435 1.00
## 215 NumMultBonds -0.0274074621 1.00
## 216 NumRotBonds -0.0563470257 1.00
## 217 NumDblBonds 0.0185143240 1.00
## 218 NumAromaticBonds -0.0275949376 1.00
## 219 NumHydrogen -0.0102932825 1.00
## 220 NumCarbon -0.0316046499 1.00
## 221 NumNitrogen 0.0248853977 1.00
## 222 NumOxygen 0.0678526778 1.00
## 223 NumSulfer -0.1772177281 1.00
## 224 NumChlorine -0.1255726671 1.00
## 225 NumHalogen -0.1147072763 1.00
## 226 NumRings -0.0780945540 1.00
## 227 HydrophilicFactor 0.0823526590 1.00
## 228 SurfaceArea1 0.0030468819 1.00
## 229 SurfaceArea2 0.0014333925 1.00
## 230 (Intercept) -0.3867786288 0.99
## 231 FP011 0.1041491854 0.99
## 232 FP039 -0.2038968875 0.99
## 233 FP040 0.3254007084 0.99
## 234 FP043 0.1685895852 0.99
## 235 FP044 -0.5488024859 0.99
## 236 FP050 -0.0038921250 0.99
## 237 FP059 -0.5782751618 0.99
## 238 FP063 0.2850948829 0.99
## 239 FP072 0.4584343590 0.99
## 240 FP073 0.0367867962 0.99
## 241 FP074 0.1163292998 0.99
## 242 FP084 0.0747062300 0.99
## 243 FP094 -0.0567192259 0.99
## 244 FP101 0.0396227725 0.99
## 245 FP111 -0.1283600608 0.99
## 246 FP124 0.0054472012 0.99
## 247 FP135 0.2493512120 0.99
## 248 FP142 0.3342292410 0.99
## 249 FP147 0.0736102979 0.99
## 250 FP172 -0.0404058364 0.99
## 251 FP193 -0.0017617755 0.99
## 252 FP204 -0.2214420681 0.99
## 253 FP206 -0.2355032816 0.99
## 254 MolWeight -0.0071031175 0.99
## 255 NumMultBonds -0.0646492376 0.99
## 256 NumRotBonds -0.0118190474 0.99
## 257 NumCarbon -0.1200727172 0.99
## 258 NumOxygen 0.1361853059 0.99
## 259 NumSulfer -0.0900109434 0.99
## 260 NumChlorine -0.2797318141 0.99
## 261 HydrophilicFactor 0.0696293441 0.99
## 262 SurfaceArea1 0.0053537512 0.99
## 263 (Intercept) -0.3867786288 0.98
## 264 FP011 0.1041491854 0.98
## 265 FP039 -0.2038968875 0.98
## 266 FP040 0.3254007084 0.98
## 267 FP043 0.1685895852 0.98
## 268 FP044 -0.5488024859 0.98
## 269 FP050 -0.0038921250 0.98
## 270 FP059 -0.5782751618 0.98
## 271 FP063 0.2850948829 0.98
## 272 FP072 0.4584343590 0.98
## 273 FP073 0.0367867962 0.98
## 274 FP074 0.1163292998 0.98
## 275 FP084 0.0747062300 0.98
## 276 FP094 -0.0567192259 0.98
## 277 FP101 0.0396227725 0.98
## 278 FP111 -0.1283600608 0.98
## 279 FP124 0.0054472012 0.98
## 280 FP135 0.2493512120 0.98
## 281 FP142 0.3342292410 0.98
## 282 FP147 0.0736102979 0.98
## 283 FP172 -0.0404058364 0.98
## 284 FP193 -0.0017617755 0.98
## 285 FP204 -0.2214420681 0.98
## 286 FP206 -0.2355032816 0.98
## 287 MolWeight -0.0071031175 0.98
## 288 NumMultBonds -0.0646492376 0.98
## 289 NumRotBonds -0.0118190474 0.98
## 290 NumCarbon -0.1200727172 0.98
## 291 NumOxygen 0.1361853059 0.98
## 292 NumSulfer -0.0900109434 0.98
## 293 NumChlorine -0.2797318141 0.98
## 294 HydrophilicFactor 0.0696293441 0.98
## 295 SurfaceArea1 0.0053537512 0.98
## 296 (Intercept) -0.3867786288 0.97
## 297 FP011 0.1041491854 0.97
## 298 FP039 -0.2038968875 0.97
## 299 FP040 0.3254007084 0.97
## 300 FP043 0.1685895852 0.97
## 301 FP044 -0.5488024859 0.97
## 302 FP050 -0.0038921250 0.97
## 303 FP059 -0.5782751618 0.97
## 304 FP063 0.2850948829 0.97
## 305 FP072 0.4584343590 0.97
## 306 FP073 0.0367867962 0.97
## 307 FP074 0.1163292998 0.97
## 308 FP084 0.0747062300 0.97
## 309 FP094 -0.0567192259 0.97
## 310 FP101 0.0396227725 0.97
## 311 FP111 -0.1283600608 0.97
## 312 FP124 0.0054472012 0.97
## 313 FP135 0.2493512120 0.97
## 314 FP142 0.3342292410 0.97
## 315 FP147 0.0736102979 0.97
## 316 FP172 -0.0404058364 0.97
## 317 FP193 -0.0017617755 0.97
## 318 FP204 -0.2214420681 0.97
## 319 FP206 -0.2355032816 0.97
## 320 MolWeight -0.0071031175 0.97
## 321 NumMultBonds -0.0646492376 0.97
## 322 NumRotBonds -0.0118190474 0.97
## 323 NumCarbon -0.1200727172 0.97
## 324 NumOxygen 0.1361853059 0.97
## 325 NumSulfer -0.0900109434 0.97
## 326 NumChlorine -0.2797318141 0.97
## 327 HydrophilicFactor 0.0696293441 0.97
## 328 SurfaceArea1 0.0053537512 0.97
## 329 (Intercept) -0.3867786288 0.96
## 330 FP011 0.1041491854 0.96
## 331 FP039 -0.2038968875 0.96
## 332 FP040 0.3254007084 0.96
## 333 FP043 0.1685895852 0.96
## 334 FP044 -0.5488024859 0.96
## 335 FP050 -0.0038921250 0.96
## 336 FP059 -0.5782751618 0.96
## 337 FP063 0.2850948829 0.96
## 338 FP072 0.4584343590 0.96
## 339 FP073 0.0367867962 0.96
## 340 FP074 0.1163292998 0.96
## 341 FP084 0.0747062300 0.96
## 342 FP094 -0.0567192259 0.96
## 343 FP101 0.0396227725 0.96
## 344 FP111 -0.1283600608 0.96
## 345 FP124 0.0054472012 0.96
## 346 FP135 0.2493512120 0.96
## 347 FP142 0.3342292410 0.96
## 348 FP147 0.0736102979 0.96
## 349 FP172 -0.0404058364 0.96
## 350 FP193 -0.0017617755 0.96
## 351 FP204 -0.2214420681 0.96
## 352 FP206 -0.2355032816 0.96
## 353 MolWeight -0.0071031175 0.96
## 354 NumMultBonds -0.0646492376 0.96
## 355 NumRotBonds -0.0118190474 0.96
## 356 NumCarbon -0.1200727172 0.96
## 357 NumOxygen 0.1361853059 0.96
## 358 NumSulfer -0.0900109434 0.96
## 359 NumChlorine -0.2797318141 0.96
## 360 HydrophilicFactor 0.0696293441 0.96
## 361 SurfaceArea1 0.0053537512 0.96
## 362 (Intercept) -0.3867786288 0.95
## 363 FP011 0.1041491854 0.95
## 364 FP039 -0.2038968875 0.95
## 365 FP040 0.3254007084 0.95
## 366 FP043 0.1685895852 0.95
## 367 FP044 -0.5488024859 0.95
## 368 FP050 -0.0038921250 0.95
## 369 FP059 -0.5782751618 0.95
## 370 FP063 0.2850948829 0.95
## 371 FP072 0.4584343590 0.95
## 372 FP073 0.0367867962 0.95
## 373 FP074 0.1163292998 0.95
## 374 FP084 0.0747062300 0.95
## 375 FP094 -0.0567192259 0.95
## 376 FP101 0.0396227725 0.95
## 377 FP111 -0.1283600608 0.95
## 378 FP124 0.0054472012 0.95
## 379 FP135 0.2493512120 0.95
## 380 FP142 0.3342292410 0.95
## 381 FP147 0.0736102979 0.95
## 382 FP172 -0.0404058364 0.95
## 383 FP193 -0.0017617755 0.95
## 384 FP204 -0.2214420681 0.95
## 385 FP206 -0.2355032816 0.95
## 386 MolWeight -0.0071031175 0.95
## 387 NumMultBonds -0.0646492376 0.95
## 388 NumRotBonds -0.0118190474 0.95
## 389 NumCarbon -0.1200727172 0.95
## 390 NumOxygen 0.1361853059 0.95
## 391 NumSulfer -0.0900109434 0.95
## 392 NumChlorine -0.2797318141 0.95
## 393 HydrophilicFactor 0.0696293441 0.95
## 394 SurfaceArea1 0.0053537512 0.95
## 395 (Intercept) -0.3867786288 0.94
## 396 FP011 0.1041491854 0.94
## 397 FP039 -0.2038968875 0.94
## 398 FP040 0.3254007084 0.94
## 399 FP043 0.1685895852 0.94
## 400 FP044 -0.5488024859 0.94
## 401 FP050 -0.0038921250 0.94
## 402 FP059 -0.5782751618 0.94
## 403 FP063 0.2850948829 0.94
## 404 FP072 0.4584343590 0.94
## 405 FP073 0.0367867962 0.94
## 406 FP074 0.1163292998 0.94
## 407 FP084 0.0747062300 0.94
## 408 FP094 -0.0567192259 0.94
## 409 FP101 0.0396227725 0.94
## 410 FP111 -0.1283600608 0.94
## 411 FP124 0.0054472012 0.94
## 412 FP135 0.2493512120 0.94
## 413 FP142 0.3342292410 0.94
## 414 FP147 0.0736102979 0.94
## 415 FP172 -0.0404058364 0.94
## 416 FP193 -0.0017617755 0.94
## 417 FP204 -0.2214420681 0.94
## 418 FP206 -0.2355032816 0.94
## 419 MolWeight -0.0071031175 0.94
## 420 NumMultBonds -0.0646492376 0.94
## 421 NumRotBonds -0.0118190474 0.94
## 422 NumCarbon -0.1200727172 0.94
## 423 NumOxygen 0.1361853059 0.94
## 424 NumSulfer -0.0900109434 0.94
## 425 NumChlorine -0.2797318141 0.94
## 426 HydrophilicFactor 0.0696293441 0.94
## 427 SurfaceArea1 0.0053537512 0.94
## 428 (Intercept) -0.3867786288 0.93
## 429 FP011 0.1041491854 0.93
## 430 FP039 -0.2038968875 0.93
## 431 FP040 0.3254007084 0.93
## 432 FP043 0.1685895852 0.93
## 433 FP044 -0.5488024859 0.93
## 434 FP050 -0.0038921250 0.93
## 435 FP059 -0.5782751618 0.93
## 436 FP063 0.2850948829 0.93
## 437 FP072 0.4584343590 0.93
## 438 FP073 0.0367867962 0.93
## 439 FP074 0.1163292998 0.93
## 440 FP084 0.0747062300 0.93
## 441 FP094 -0.0567192259 0.93
## 442 FP101 0.0396227725 0.93
## 443 FP111 -0.1283600608 0.93
## 444 FP124 0.0054472012 0.93
## 445 FP135 0.2493512120 0.93
## 446 FP142 0.3342292410 0.93
## 447 FP147 0.0736102979 0.93
## 448 FP172 -0.0404058364 0.93
## 449 FP193 -0.0017617755 0.93
## 450 FP204 -0.2214420681 0.93
## 451 FP206 -0.2355032816 0.93
## 452 MolWeight -0.0071031175 0.93
## 453 NumMultBonds -0.0646492376 0.93
## 454 NumRotBonds -0.0118190474 0.93
## 455 NumCarbon -0.1200727172 0.93
## 456 NumOxygen 0.1361853059 0.93
## 457 NumSulfer -0.0900109434 0.93
## 458 NumChlorine -0.2797318141 0.93
## 459 HydrophilicFactor 0.0696293441 0.93
## 460 SurfaceArea1 0.0053537512 0.93
## 461 (Intercept) -0.3867786288 0.92
## 462 FP011 0.1041491854 0.92
## 463 FP039 -0.2038968875 0.92
## 464 FP040 0.3254007084 0.92
## 465 FP043 0.1685895852 0.92
## 466 FP044 -0.5488024859 0.92
## 467 FP050 -0.0038921250 0.92
## 468 FP059 -0.5782751618 0.92
## 469 FP063 0.2850948829 0.92
## 470 FP072 0.4584343590 0.92
## 471 FP073 0.0367867962 0.92
## 472 FP074 0.1163292998 0.92
## 473 FP084 0.0747062300 0.92
## 474 FP094 -0.0567192259 0.92
## 475 FP101 0.0396227725 0.92
## 476 FP111 -0.1283600608 0.92
## 477 FP124 0.0054472012 0.92
## 478 FP135 0.2493512120 0.92
## 479 FP142 0.3342292410 0.92
## 480 FP147 0.0736102979 0.92
## 481 FP172 -0.0404058364 0.92
## 482 FP193 -0.0017617755 0.92
## 483 FP204 -0.2214420681 0.92
## 484 FP206 -0.2355032816 0.92
## 485 MolWeight -0.0071031175 0.92
## 486 NumMultBonds -0.0646492376 0.92
## 487 NumRotBonds -0.0118190474 0.92
## 488 NumCarbon -0.1200727172 0.92
## 489 NumOxygen 0.1361853059 0.92
## 490 NumSulfer -0.0900109434 0.92
## 491 NumChlorine -0.2797318141 0.92
## 492 HydrophilicFactor 0.0696293441 0.92
## 493 SurfaceArea1 0.0053537512 0.92
## 494 (Intercept) -0.3867786288 0.91
## 495 FP011 0.1041491854 0.91
## 496 FP039 -0.2038968875 0.91
## 497 FP040 0.3254007084 0.91
## 498 FP043 0.1685895852 0.91
## 499 FP044 -0.5488024859 0.91
## 500 FP050 -0.0038921250 0.91
## 501 FP059 -0.5782751618 0.91
## 502 FP063 0.2850948829 0.91
## 503 FP072 0.4584343590 0.91
## 504 FP073 0.0367867962 0.91
## 505 FP074 0.1163292998 0.91
## 506 FP084 0.0747062300 0.91
## 507 FP094 -0.0567192259 0.91
## 508 FP101 0.0396227725 0.91
## 509 FP111 -0.1283600608 0.91
## 510 FP124 0.0054472012 0.91
## 511 FP135 0.2493512120 0.91
## 512 FP142 0.3342292410 0.91
## 513 FP147 0.0736102979 0.91
## 514 FP172 -0.0404058364 0.91
## 515 FP193 -0.0017617755 0.91
## 516 FP204 -0.2214420681 0.91
## 517 FP206 -0.2355032816 0.91
## 518 MolWeight -0.0071031175 0.91
## 519 NumMultBonds -0.0646492376 0.91
## 520 NumRotBonds -0.0118190474 0.91
## 521 NumCarbon -0.1200727172 0.91
## 522 NumOxygen 0.1361853059 0.91
## 523 NumSulfer -0.0900109434 0.91
## 524 NumChlorine -0.2797318141 0.91
## 525 HydrophilicFactor 0.0696293441 0.91
## 526 SurfaceArea1 0.0053537512 0.91
## 527 (Intercept) -0.3867786288 0.90
## 528 FP011 0.1041491854 0.90
## 529 FP039 -0.2038968875 0.90
## 530 FP040 0.3254007084 0.90
## 531 FP043 0.1685895852 0.90
## 532 FP044 -0.5488024859 0.90
## 533 FP050 -0.0038921250 0.90
## 534 FP059 -0.5782751618 0.90
## 535 FP063 0.2850948829 0.90
## 536 FP072 0.4584343590 0.90
## 537 FP073 0.0367867962 0.90
## 538 FP074 0.1163292998 0.90
## 539 FP084 0.0747062300 0.90
## 540 FP094 -0.0567192259 0.90
## 541 FP101 0.0396227725 0.90
## 542 FP111 -0.1283600608 0.90
## 543 FP124 0.0054472012 0.90
## 544 FP135 0.2493512120 0.90
## 545 FP142 0.3342292410 0.90
## 546 FP147 0.0736102979 0.90
## 547 FP172 -0.0404058364 0.90
## 548 FP193 -0.0017617755 0.90
## 549 FP204 -0.2214420681 0.90
## 550 FP206 -0.2355032816 0.90
## 551 MolWeight -0.0071031175 0.90
## 552 NumMultBonds -0.0646492376 0.90
## 553 NumRotBonds -0.0118190474 0.90
## 554 NumCarbon -0.1200727172 0.90
## 555 NumOxygen 0.1361853059 0.90
## 556 NumSulfer -0.0900109434 0.90
## 557 NumChlorine -0.2797318141 0.90
## 558 HydrophilicFactor 0.0696293441 0.90
## 559 SurfaceArea1 0.0053537512 0.90
## 560 (Intercept) -0.3867786288 0.89
## 561 FP011 0.1041491854 0.89
## 562 FP039 -0.2038968875 0.89
## 563 FP040 0.3254007084 0.89
## 564 FP043 0.1685895852 0.89
## 565 FP044 -0.5488024859 0.89
## 566 FP050 -0.0038921250 0.89
## 567 FP059 -0.5782751618 0.89
## 568 FP063 0.2850948829 0.89
## 569 FP072 0.4584343590 0.89
## 570 FP073 0.0367867962 0.89
## 571 FP074 0.1163292998 0.89
## 572 FP084 0.0747062300 0.89
## 573 FP094 -0.0567192259 0.89
## 574 FP101 0.0396227725 0.89
## 575 FP111 -0.1283600608 0.89
## 576 FP124 0.0054472012 0.89
## 577 FP135 0.2493512120 0.89
## 578 FP142 0.3342292410 0.89
## 579 FP147 0.0736102979 0.89
## 580 FP172 -0.0404058364 0.89
## 581 FP193 -0.0017617755 0.89
## 582 FP204 -0.2214420681 0.89
## 583 FP206 -0.2355032816 0.89
## 584 MolWeight -0.0071031175 0.89
## 585 NumMultBonds -0.0646492376 0.89
## 586 NumRotBonds -0.0118190474 0.89
## 587 NumCarbon -0.1200727172 0.89
## 588 NumOxygen 0.1361853059 0.89
## 589 NumSulfer -0.0900109434 0.89
## 590 NumChlorine -0.2797318141 0.89
## 591 HydrophilicFactor 0.0696293441 0.89
## 592 SurfaceArea1 0.0053537512 0.89
## 593 (Intercept) -0.3867786288 0.88
## 594 FP011 0.1041491854 0.88
## 595 FP039 -0.2038968875 0.88
## 596 FP040 0.3254007084 0.88
## 597 FP043 0.1685895852 0.88
## 598 FP044 -0.5488024859 0.88
## 599 FP050 -0.0038921250 0.88
## 600 FP059 -0.5782751618 0.88
## 601 FP063 0.2850948829 0.88
## 602 FP072 0.4584343590 0.88
## 603 FP073 0.0367867962 0.88
## 604 FP074 0.1163292998 0.88
## 605 FP084 0.0747062300 0.88
## 606 FP094 -0.0567192259 0.88
## 607 FP101 0.0396227725 0.88
## 608 FP111 -0.1283600608 0.88
## 609 FP124 0.0054472012 0.88
## 610 FP135 0.2493512120 0.88
## 611 FP142 0.3342292410 0.88
## 612 FP147 0.0736102979 0.88
## 613 FP172 -0.0404058364 0.88
## 614 FP193 -0.0017617755 0.88
## 615 FP204 -0.2214420681 0.88
## 616 FP206 -0.2355032816 0.88
## 617 MolWeight -0.0071031175 0.88
## 618 NumMultBonds -0.0646492376 0.88
## 619 NumRotBonds -0.0118190474 0.88
## 620 NumCarbon -0.1200727172 0.88
## 621 NumOxygen 0.1361853059 0.88
## 622 NumSulfer -0.0900109434 0.88
## 623 NumChlorine -0.2797318141 0.88
## 624 HydrophilicFactor 0.0696293441 0.88
## 625 SurfaceArea1 0.0053537512 0.88
## 626 (Intercept) -0.3867786288 0.87
## 627 FP011 0.1041491854 0.87
## 628 FP039 -0.2038968875 0.87
## 629 FP040 0.3254007084 0.87
## 630 FP043 0.1685895852 0.87
## 631 FP044 -0.5488024859 0.87
## 632 FP050 -0.0038921250 0.87
## 633 FP059 -0.5782751618 0.87
## 634 FP063 0.2850948829 0.87
## 635 FP072 0.4584343590 0.87
## 636 FP073 0.0367867962 0.87
## 637 FP074 0.1163292998 0.87
## 638 FP084 0.0747062300 0.87
## 639 FP094 -0.0567192259 0.87
## 640 FP101 0.0396227725 0.87
## 641 FP111 -0.1283600608 0.87
## 642 FP124 0.0054472012 0.87
## 643 FP135 0.2493512120 0.87
## 644 FP142 0.3342292410 0.87
## 645 FP147 0.0736102979 0.87
## 646 FP172 -0.0404058364 0.87
## 647 FP193 -0.0017617755 0.87
## 648 FP204 -0.2214420681 0.87
## 649 FP206 -0.2355032816 0.87
## 650 MolWeight -0.0071031175 0.87
## 651 NumMultBonds -0.0646492376 0.87
## 652 NumRotBonds -0.0118190474 0.87
## 653 NumCarbon -0.1200727172 0.87
## 654 NumOxygen 0.1361853059 0.87
## 655 NumSulfer -0.0900109434 0.87
## 656 NumChlorine -0.2797318141 0.87
## 657 HydrophilicFactor 0.0696293441 0.87
## 658 SurfaceArea1 0.0053537512 0.87
## 659 (Intercept) -0.3867786288 0.86
## 660 FP011 0.1041491854 0.86
## 661 FP039 -0.2038968875 0.86
## 662 FP040 0.3254007084 0.86
## 663 FP043 0.1685895852 0.86
## 664 FP044 -0.5488024859 0.86
## 665 FP050 -0.0038921250 0.86
## 666 FP059 -0.5782751618 0.86
## 667 FP063 0.2850948829 0.86
## 668 FP072 0.4584343590 0.86
## 669 FP073 0.0367867962 0.86
## 670 FP074 0.1163292998 0.86
## 671 FP084 0.0747062300 0.86
## 672 FP094 -0.0567192259 0.86
## 673 FP101 0.0396227725 0.86
## 674 FP111 -0.1283600608 0.86
## 675 FP124 0.0054472012 0.86
## 676 FP135 0.2493512120 0.86
## 677 FP142 0.3342292410 0.86
## 678 FP147 0.0736102979 0.86
## 679 FP172 -0.0404058364 0.86
## 680 FP193 -0.0017617755 0.86
## 681 FP204 -0.2214420681 0.86
## 682 FP206 -0.2355032816 0.86
## 683 MolWeight -0.0071031175 0.86
## 684 NumMultBonds -0.0646492376 0.86
## 685 NumRotBonds -0.0118190474 0.86
## 686 NumCarbon -0.1200727172 0.86
## 687 NumOxygen 0.1361853059 0.86
## 688 NumSulfer -0.0900109434 0.86
## 689 NumChlorine -0.2797318141 0.86
## 690 HydrophilicFactor 0.0696293441 0.86
## 691 SurfaceArea1 0.0053537512 0.86
## 692 (Intercept) -0.3867786288 0.85
## 693 FP011 0.1041491854 0.85
## 694 FP039 -0.2038968875 0.85
## 695 FP040 0.3254007084 0.85
## 696 FP043 0.1685895852 0.85
## 697 FP044 -0.5488024859 0.85
## 698 FP050 -0.0038921250 0.85
## 699 FP059 -0.5782751618 0.85
## 700 FP063 0.2850948829 0.85
## 701 FP072 0.4584343590 0.85
## 702 FP073 0.0367867962 0.85
## 703 FP074 0.1163292998 0.85
## 704 FP084 0.0747062300 0.85
## 705 FP094 -0.0567192259 0.85
## 706 FP101 0.0396227725 0.85
## 707 FP111 -0.1283600608 0.85
## 708 FP124 0.0054472012 0.85
## 709 FP135 0.2493512120 0.85
## 710 FP142 0.3342292410 0.85
## 711 FP147 0.0736102979 0.85
## 712 FP172 -0.0404058364 0.85
## 713 FP193 -0.0017617755 0.85
## 714 FP204 -0.2214420681 0.85
## 715 FP206 -0.2355032816 0.85
## 716 MolWeight -0.0071031175 0.85
## 717 NumMultBonds -0.0646492376 0.85
## 718 NumRotBonds -0.0118190474 0.85
## 719 NumCarbon -0.1200727172 0.85
## 720 NumOxygen 0.1361853059 0.85
## 721 NumSulfer -0.0900109434 0.85
## 722 NumChlorine -0.2797318141 0.85
## 723 HydrophilicFactor 0.0696293441 0.85
## 724 SurfaceArea1 0.0053537512 0.85
## 725 (Intercept) -0.3867786288 0.84
## 726 FP011 0.1041491854 0.84
## 727 FP039 -0.2038968875 0.84
## 728 FP040 0.3254007084 0.84
## 729 FP043 0.1685895852 0.84
## 730 FP044 -0.5488024859 0.84
## 731 FP050 -0.0038921250 0.84
## 732 FP059 -0.5782751618 0.84
## 733 FP063 0.2850948829 0.84
## 734 FP072 0.4584343590 0.84
## 735 FP073 0.0367867962 0.84
## 736 FP074 0.1163292998 0.84
## 737 FP084 0.0747062300 0.84
## 738 FP094 -0.0567192259 0.84
## 739 FP101 0.0396227725 0.84
## 740 FP111 -0.1283600608 0.84
## 741 FP124 0.0054472012 0.84
## 742 FP135 0.2493512120 0.84
## 743 FP142 0.3342292410 0.84
## 744 FP147 0.0736102979 0.84
## 745 FP172 -0.0404058364 0.84
## 746 FP193 -0.0017617755 0.84
## 747 FP204 -0.2214420681 0.84
## 748 FP206 -0.2355032816 0.84
## 749 MolWeight -0.0071031175 0.84
## 750 NumMultBonds -0.0646492376 0.84
## 751 NumRotBonds -0.0118190474 0.84
## 752 NumCarbon -0.1200727172 0.84
## 753 NumOxygen 0.1361853059 0.84
## 754 NumSulfer -0.0900109434 0.84
## 755 NumChlorine -0.2797318141 0.84
## 756 HydrophilicFactor 0.0696293441 0.84
## 757 SurfaceArea1 0.0053537512 0.84
## 758 (Intercept) -0.3867786288 0.83
## 759 FP011 0.1041491854 0.83
## 760 FP039 -0.2038968875 0.83
## 761 FP040 0.3254007084 0.83
## 762 FP043 0.1685895852 0.83
## 763 FP044 -0.5488024859 0.83
## 764 FP050 -0.0038921250 0.83
## 765 FP059 -0.5782751618 0.83
## 766 FP063 0.2850948829 0.83
## 767 FP072 0.4584343590 0.83
## 768 FP073 0.0367867962 0.83
## 769 FP074 0.1163292998 0.83
## 770 FP084 0.0747062300 0.83
## 771 FP094 -0.0567192259 0.83
## 772 FP101 0.0396227725 0.83
## 773 FP111 -0.1283600608 0.83
## 774 FP124 0.0054472012 0.83
## 775 FP135 0.2493512120 0.83
## 776 FP142 0.3342292410 0.83
## 777 FP147 0.0736102979 0.83
## 778 FP172 -0.0404058364 0.83
## 779 FP193 -0.0017617755 0.83
## 780 FP204 -0.2214420681 0.83
## 781 FP206 -0.2355032816 0.83
## 782 MolWeight -0.0071031175 0.83
## 783 NumMultBonds -0.0646492376 0.83
## 784 NumRotBonds -0.0118190474 0.83
## 785 NumCarbon -0.1200727172 0.83
## 786 NumOxygen 0.1361853059 0.83
## 787 NumSulfer -0.0900109434 0.83
## 788 NumChlorine -0.2797318141 0.83
## 789 HydrophilicFactor 0.0696293441 0.83
## 790 SurfaceArea1 0.0053537512 0.83
## 791 (Intercept) -0.3867786288 0.82
## 792 FP011 0.1041491854 0.82
## 793 FP039 -0.2038968875 0.82
## 794 FP040 0.3254007084 0.82
## 795 FP043 0.1685895852 0.82
## 796 FP044 -0.5488024859 0.82
## 797 FP050 -0.0038921250 0.82
## 798 FP059 -0.5782751618 0.82
## 799 FP063 0.2850948829 0.82
## 800 FP072 0.4584343590 0.82
## 801 FP073 0.0367867962 0.82
## 802 FP074 0.1163292998 0.82
## 803 FP084 0.0747062300 0.82
## 804 FP094 -0.0567192259 0.82
## 805 FP101 0.0396227725 0.82
## 806 FP111 -0.1283600608 0.82
## 807 FP124 0.0054472012 0.82
## 808 FP135 0.2493512120 0.82
## 809 FP142 0.3342292410 0.82
## 810 FP147 0.0736102979 0.82
## 811 FP172 -0.0404058364 0.82
## 812 FP193 -0.0017617755 0.82
## 813 FP204 -0.2214420681 0.82
## 814 FP206 -0.2355032816 0.82
## 815 MolWeight -0.0071031175 0.82
## 816 NumMultBonds -0.0646492376 0.82
## 817 NumRotBonds -0.0118190474 0.82
## 818 NumCarbon -0.1200727172 0.82
## 819 NumOxygen 0.1361853059 0.82
## 820 NumSulfer -0.0900109434 0.82
## 821 NumChlorine -0.2797318141 0.82
## 822 HydrophilicFactor 0.0696293441 0.82
## 823 SurfaceArea1 0.0053537512 0.82
## 824 (Intercept) -0.3867786288 0.81
## 825 FP011 0.1041491854 0.81
## 826 FP039 -0.2038968875 0.81
## 827 FP040 0.3254007084 0.81
## 828 FP043 0.1685895852 0.81
## 829 FP044 -0.5488024859 0.81
## 830 FP050 -0.0038921250 0.81
## 831 FP059 -0.5782751618 0.81
## 832 FP063 0.2850948829 0.81
## 833 FP072 0.4584343590 0.81
## 834 FP073 0.0367867962 0.81
## 835 FP074 0.1163292998 0.81
## 836 FP084 0.0747062300 0.81
## 837 FP094 -0.0567192259 0.81
## 838 FP101 0.0396227725 0.81
## 839 FP111 -0.1283600608 0.81
## 840 FP124 0.0054472012 0.81
## 841 FP135 0.2493512120 0.81
## 842 FP142 0.3342292410 0.81
## 843 FP147 0.0736102979 0.81
## 844 FP172 -0.0404058364 0.81
## 845 FP193 -0.0017617755 0.81
## 846 FP204 -0.2214420681 0.81
## 847 FP206 -0.2355032816 0.81
## 848 MolWeight -0.0071031175 0.81
## 849 NumMultBonds -0.0646492376 0.81
## 850 NumRotBonds -0.0118190474 0.81
## 851 NumCarbon -0.1200727172 0.81
## 852 NumOxygen 0.1361853059 0.81
## 853 NumSulfer -0.0900109434 0.81
## 854 NumChlorine -0.2797318141 0.81
## 855 HydrophilicFactor 0.0696293441 0.81
## 856 SurfaceArea1 0.0053537512 0.81
## 857 (Intercept) -0.3867786288 0.80
## 858 FP011 0.1041491854 0.80
## 859 FP039 -0.2038968875 0.80
## 860 FP040 0.3254007084 0.80
## 861 FP043 0.1685895852 0.80
## 862 FP044 -0.5488024859 0.80
## 863 FP050 -0.0038921250 0.80
## 864 FP059 -0.5782751618 0.80
## 865 FP063 0.2850948829 0.80
## 866 FP072 0.4584343590 0.80
## 867 FP073 0.0367867962 0.80
## 868 FP074 0.1163292998 0.80
## 869 FP084 0.0747062300 0.80
## 870 FP094 -0.0567192259 0.80
## 871 FP101 0.0396227725 0.80
## 872 FP111 -0.1283600608 0.80
## 873 FP124 0.0054472012 0.80
## 874 FP135 0.2493512120 0.80
## 875 FP142 0.3342292410 0.80
## 876 FP147 0.0736102979 0.80
## 877 FP172 -0.0404058364 0.80
## 878 FP193 -0.0017617755 0.80
## 879 FP204 -0.2214420681 0.80
## 880 FP206 -0.2355032816 0.80
## 881 MolWeight -0.0071031175 0.80
## 882 NumMultBonds -0.0646492376 0.80
## 883 NumRotBonds -0.0118190474 0.80
## 884 NumCarbon -0.1200727172 0.80
## 885 NumOxygen 0.1361853059 0.80
## 886 NumSulfer -0.0900109434 0.80
## 887 NumChlorine -0.2797318141 0.80
## 888 HydrophilicFactor 0.0696293441 0.80
## 889 SurfaceArea1 0.0053537512 0.80
## 890 (Intercept) -0.3867786288 0.79
## 891 FP011 0.1041491854 0.79
## 892 FP039 -0.2038968875 0.79
## 893 FP040 0.3254007084 0.79
## 894 FP043 0.1685895852 0.79
## 895 FP044 -0.5488024859 0.79
## 896 FP050 -0.0038921250 0.79
## 897 FP059 -0.5782751618 0.79
## 898 FP063 0.2850948829 0.79
## 899 FP072 0.4584343590 0.79
## 900 FP073 0.0367867962 0.79
## 901 FP074 0.1163292998 0.79
## 902 FP084 0.0747062300 0.79
## 903 FP094 -0.0567192259 0.79
## 904 FP101 0.0396227725 0.79
## 905 FP111 -0.1283600608 0.79
## 906 FP124 0.0054472012 0.79
## 907 FP135 0.2493512120 0.79
## 908 FP142 0.3342292410 0.79
## 909 FP147 0.0736102979 0.79
## 910 FP172 -0.0404058364 0.79
## 911 FP193 -0.0017617755 0.79
## 912 FP204 -0.2214420681 0.79
## 913 FP206 -0.2355032816 0.79
## 914 MolWeight -0.0071031175 0.79
## 915 NumMultBonds -0.0646492376 0.79
## 916 NumRotBonds -0.0118190474 0.79
## 917 NumCarbon -0.1200727172 0.79
## 918 NumOxygen 0.1361853059 0.79
## 919 NumSulfer -0.0900109434 0.79
## 920 NumChlorine -0.2797318141 0.79
## 921 HydrophilicFactor 0.0696293441 0.79
## 922 SurfaceArea1 0.0053537512 0.79
## 923 (Intercept) -0.3867786288 0.78
## 924 FP011 0.1041491854 0.78
## 925 FP039 -0.2038968875 0.78
## 926 FP040 0.3254007084 0.78
## 927 FP043 0.1685895852 0.78
## 928 FP044 -0.5488024859 0.78
## 929 FP050 -0.0038921250 0.78
## 930 FP059 -0.5782751618 0.78
## 931 FP063 0.2850948829 0.78
## 932 FP072 0.4584343590 0.78
## 933 FP073 0.0367867962 0.78
## 934 FP074 0.1163292998 0.78
## 935 FP084 0.0747062300 0.78
## 936 FP094 -0.0567192259 0.78
## 937 FP101 0.0396227725 0.78
## 938 FP111 -0.1283600608 0.78
## 939 FP124 0.0054472012 0.78
## 940 FP135 0.2493512120 0.78
## 941 FP142 0.3342292410 0.78
## 942 FP147 0.0736102979 0.78
## 943 FP172 -0.0404058364 0.78
## 944 FP193 -0.0017617755 0.78
## 945 FP204 -0.2214420681 0.78
## 946 FP206 -0.2355032816 0.78
## 947 MolWeight -0.0071031175 0.78
## 948 NumMultBonds -0.0646492376 0.78
## 949 NumRotBonds -0.0118190474 0.78
## 950 NumCarbon -0.1200727172 0.78
## 951 NumOxygen 0.1361853059 0.78
## 952 NumSulfer -0.0900109434 0.78
## 953 NumChlorine -0.2797318141 0.78
## 954 HydrophilicFactor 0.0696293441 0.78
## 955 SurfaceArea1 0.0053537512 0.78
## 956 (Intercept) -0.3867786288 0.77
## 957 FP011 0.1041491854 0.77
## 958 FP039 -0.2038968875 0.77
## 959 FP040 0.3254007084 0.77
## 960 FP043 0.1685895852 0.77
## 961 FP044 -0.5488024859 0.77
## 962 FP050 -0.0038921250 0.77
## 963 FP059 -0.5782751618 0.77
## 964 FP063 0.2850948829 0.77
## 965 FP072 0.4584343590 0.77
## 966 FP073 0.0367867962 0.77
## 967 FP074 0.1163292998 0.77
## 968 FP084 0.0747062300 0.77
## 969 FP094 -0.0567192259 0.77
## 970 FP101 0.0396227725 0.77
## 971 FP111 -0.1283600608 0.77
## 972 FP124 0.0054472012 0.77
## 973 FP135 0.2493512120 0.77
## 974 FP142 0.3342292410 0.77
## 975 FP147 0.0736102979 0.77
## 976 FP172 -0.0404058364 0.77
## 977 FP193 -0.0017617755 0.77
## 978 FP204 -0.2214420681 0.77
## 979 FP206 -0.2355032816 0.77
## 980 MolWeight -0.0071031175 0.77
## 981 NumMultBonds -0.0646492376 0.77
## 982 NumRotBonds -0.0118190474 0.77
## 983 NumCarbon -0.1200727172 0.77
## 984 NumOxygen 0.1361853059 0.77
## 985 NumSulfer -0.0900109434 0.77
## 986 NumChlorine -0.2797318141 0.77
## 987 HydrophilicFactor 0.0696293441 0.77
## 988 SurfaceArea1 0.0053537512 0.77
## 989 (Intercept) -0.3867786288 0.76
## 990 FP011 0.1041491854 0.76
## 991 FP039 -0.2038968875 0.76
## 992 FP040 0.3254007084 0.76
## 993 FP043 0.1685895852 0.76
## 994 FP044 -0.5488024859 0.76
## 995 FP050 -0.0038921250 0.76
## 996 FP059 -0.5782751618 0.76
## 997 FP063 0.2850948829 0.76
## 998 FP072 0.4584343590 0.76
## 999 FP073 0.0367867962 0.76
## 1000 FP074 0.1163292998 0.76
## 1001 FP084 0.0747062300 0.76
## 1002 FP094 -0.0567192259 0.76
## 1003 FP101 0.0396227725 0.76
## 1004 FP111 -0.1283600608 0.76
## 1005 FP124 0.0054472012 0.76
## 1006 FP135 0.2493512120 0.76
## 1007 FP142 0.3342292410 0.76
## 1008 FP147 0.0736102979 0.76
## 1009 FP172 -0.0404058364 0.76
## 1010 FP193 -0.0017617755 0.76
## 1011 FP204 -0.2214420681 0.76
## 1012 FP206 -0.2355032816 0.76
## 1013 MolWeight -0.0071031175 0.76
## 1014 NumMultBonds -0.0646492376 0.76
## 1015 NumRotBonds -0.0118190474 0.76
## 1016 NumCarbon -0.1200727172 0.76
## 1017 NumOxygen 0.1361853059 0.76
## 1018 NumSulfer -0.0900109434 0.76
## 1019 NumChlorine -0.2797318141 0.76
## 1020 HydrophilicFactor 0.0696293441 0.76
## 1021 SurfaceArea1 0.0053537512 0.76
## 1022 (Intercept) -0.3867786288 0.75
## 1023 FP011 0.1041491854 0.75
## 1024 FP039 -0.2038968875 0.75
## 1025 FP040 0.3254007084 0.75
## 1026 FP043 0.1685895852 0.75
## 1027 FP044 -0.5488024859 0.75
## 1028 FP050 -0.0038921250 0.75
## 1029 FP059 -0.5782751618 0.75
## 1030 FP063 0.2850948829 0.75
## 1031 FP072 0.4584343590 0.75
## 1032 FP073 0.0367867962 0.75
## 1033 FP074 0.1163292998 0.75
## 1034 FP084 0.0747062300 0.75
## 1035 FP094 -0.0567192259 0.75
## 1036 FP101 0.0396227725 0.75
## 1037 FP111 -0.1283600608 0.75
## 1038 FP124 0.0054472012 0.75
## 1039 FP135 0.2493512120 0.75
## 1040 FP142 0.3342292410 0.75
## 1041 FP147 0.0736102979 0.75
## 1042 FP172 -0.0404058364 0.75
## 1043 FP193 -0.0017617755 0.75
## 1044 FP204 -0.2214420681 0.75
## 1045 FP206 -0.2355032816 0.75
## 1046 MolWeight -0.0071031175 0.75
## 1047 NumMultBonds -0.0646492376 0.75
## 1048 NumRotBonds -0.0118190474 0.75
## 1049 NumCarbon -0.1200727172 0.75
## 1050 NumOxygen 0.1361853059 0.75
## 1051 NumSulfer -0.0900109434 0.75
## 1052 NumChlorine -0.2797318141 0.75
## 1053 HydrophilicFactor 0.0696293441 0.75
## 1054 SurfaceArea1 0.0053537512 0.75
## 1055 (Intercept) -0.3867786288 0.74
## 1056 FP011 0.1041491854 0.74
## 1057 FP039 -0.2038968875 0.74
## 1058 FP040 0.3254007084 0.74
## 1059 FP043 0.1685895852 0.74
## 1060 FP044 -0.5488024859 0.74
## 1061 FP050 -0.0038921250 0.74
## 1062 FP059 -0.5782751618 0.74
## 1063 FP063 0.2850948829 0.74
## 1064 FP072 0.4584343590 0.74
## 1065 FP073 0.0367867962 0.74
## 1066 FP074 0.1163292998 0.74
## 1067 FP084 0.0747062300 0.74
## 1068 FP094 -0.0567192259 0.74
## 1069 FP101 0.0396227725 0.74
## 1070 FP111 -0.1283600608 0.74
## 1071 FP124 0.0054472012 0.74
## 1072 FP135 0.2493512120 0.74
## 1073 FP142 0.3342292410 0.74
## 1074 FP147 0.0736102979 0.74
## 1075 FP172 -0.0404058364 0.74
## 1076 FP193 -0.0017617755 0.74
## 1077 FP204 -0.2214420681 0.74
## 1078 FP206 -0.2355032816 0.74
## 1079 MolWeight -0.0071031175 0.74
## 1080 NumMultBonds -0.0646492376 0.74
## 1081 NumRotBonds -0.0118190474 0.74
## 1082 NumCarbon -0.1200727172 0.74
## 1083 NumOxygen 0.1361853059 0.74
## 1084 NumSulfer -0.0900109434 0.74
## 1085 NumChlorine -0.2797318141 0.74
## 1086 HydrophilicFactor 0.0696293441 0.74
## 1087 SurfaceArea1 0.0053537512 0.74
## 1088 (Intercept) -0.3867786288 0.73
## 1089 FP011 0.1041491854 0.73
## 1090 FP039 -0.2038968875 0.73
## 1091 FP040 0.3254007084 0.73
## 1092 FP043 0.1685895852 0.73
## 1093 FP044 -0.5488024859 0.73
## 1094 FP050 -0.0038921250 0.73
## 1095 FP059 -0.5782751618 0.73
## 1096 FP063 0.2850948829 0.73
## 1097 FP072 0.4584343590 0.73
## 1098 FP073 0.0367867962 0.73
## 1099 FP074 0.1163292998 0.73
## 1100 FP084 0.0747062300 0.73
## 1101 FP094 -0.0567192259 0.73
## 1102 FP101 0.0396227725 0.73
## 1103 FP111 -0.1283600608 0.73
## 1104 FP124 0.0054472012 0.73
## 1105 FP135 0.2493512120 0.73
## 1106 FP142 0.3342292410 0.73
## 1107 FP147 0.0736102979 0.73
## 1108 FP172 -0.0404058364 0.73
## 1109 FP193 -0.0017617755 0.73
## 1110 FP204 -0.2214420681 0.73
## 1111 FP206 -0.2355032816 0.73
## 1112 MolWeight -0.0071031175 0.73
## 1113 NumMultBonds -0.0646492376 0.73
## 1114 NumRotBonds -0.0118190474 0.73
## 1115 NumCarbon -0.1200727172 0.73
## 1116 NumOxygen 0.1361853059 0.73
## 1117 NumSulfer -0.0900109434 0.73
## 1118 NumChlorine -0.2797318141 0.73
## 1119 HydrophilicFactor 0.0696293441 0.73
## 1120 SurfaceArea1 0.0053537512 0.73
## 1121 (Intercept) -0.3867786288 0.72
## 1122 FP011 0.1041491854 0.72
## 1123 FP039 -0.2038968875 0.72
## 1124 FP040 0.3254007084 0.72
## 1125 FP043 0.1685895852 0.72
## 1126 FP044 -0.5488024859 0.72
## 1127 FP050 -0.0038921250 0.72
## 1128 FP059 -0.5782751618 0.72
## 1129 FP063 0.2850948829 0.72
## 1130 FP072 0.4584343590 0.72
## 1131 FP073 0.0367867962 0.72
## 1132 FP074 0.1163292998 0.72
## 1133 FP084 0.0747062300 0.72
## 1134 FP094 -0.0567192259 0.72
## 1135 FP101 0.0396227725 0.72
## 1136 FP111 -0.1283600608 0.72
## 1137 FP124 0.0054472012 0.72
## 1138 FP135 0.2493512120 0.72
## 1139 FP142 0.3342292410 0.72
## 1140 FP147 0.0736102979 0.72
## 1141 FP172 -0.0404058364 0.72
## 1142 FP193 -0.0017617755 0.72
## 1143 FP204 -0.2214420681 0.72
## 1144 FP206 -0.2355032816 0.72
## 1145 MolWeight -0.0071031175 0.72
## 1146 NumMultBonds -0.0646492376 0.72
## 1147 NumRotBonds -0.0118190474 0.72
## 1148 NumCarbon -0.1200727172 0.72
## 1149 NumOxygen 0.1361853059 0.72
## 1150 NumSulfer -0.0900109434 0.72
## 1151 NumChlorine -0.2797318141 0.72
## 1152 HydrophilicFactor 0.0696293441 0.72
## 1153 SurfaceArea1 0.0053537512 0.72
## 1154 (Intercept) -0.3867786288 0.71
## 1155 FP011 0.1041491854 0.71
## 1156 FP039 -0.2038968875 0.71
## 1157 FP040 0.3254007084 0.71
## 1158 FP043 0.1685895852 0.71
## 1159 FP044 -0.5488024859 0.71
## 1160 FP050 -0.0038921250 0.71
## 1161 FP059 -0.5782751618 0.71
## 1162 FP063 0.2850948829 0.71
## 1163 FP072 0.4584343590 0.71
## 1164 FP073 0.0367867962 0.71
## 1165 FP074 0.1163292998 0.71
## 1166 FP084 0.0747062300 0.71
## 1167 FP094 -0.0567192259 0.71
## 1168 FP101 0.0396227725 0.71
## 1169 FP111 -0.1283600608 0.71
## 1170 FP124 0.0054472012 0.71
## 1171 FP135 0.2493512120 0.71
## 1172 FP142 0.3342292410 0.71
## 1173 FP147 0.0736102979 0.71
## 1174 FP172 -0.0404058364 0.71
## 1175 FP193 -0.0017617755 0.71
## 1176 FP204 -0.2214420681 0.71
## 1177 FP206 -0.2355032816 0.71
## 1178 MolWeight -0.0071031175 0.71
## 1179 NumMultBonds -0.0646492376 0.71
## 1180 NumRotBonds -0.0118190474 0.71
## 1181 NumCarbon -0.1200727172 0.71
## 1182 NumOxygen 0.1361853059 0.71
## 1183 NumSulfer -0.0900109434 0.71
## 1184 NumChlorine -0.2797318141 0.71
## 1185 HydrophilicFactor 0.0696293441 0.71
## 1186 SurfaceArea1 0.0053537512 0.71
## 1187 (Intercept) -0.3867786288 0.70
## 1188 FP011 0.1041491854 0.70
## 1189 FP039 -0.2038968875 0.70
## 1190 FP040 0.3254007084 0.70
## 1191 FP043 0.1685895852 0.70
## 1192 FP044 -0.5488024859 0.70
## 1193 FP050 -0.0038921250 0.70
## 1194 FP059 -0.5782751618 0.70
## 1195 FP063 0.2850948829 0.70
## 1196 FP072 0.4584343590 0.70
## 1197 FP073 0.0367867962 0.70
## 1198 FP074 0.1163292998 0.70
## 1199 FP084 0.0747062300 0.70
## 1200 FP094 -0.0567192259 0.70
## 1201 FP101 0.0396227725 0.70
## 1202 FP111 -0.1283600608 0.70
## 1203 FP124 0.0054472012 0.70
## 1204 FP135 0.2493512120 0.70
## 1205 FP142 0.3342292410 0.70
## 1206 FP147 0.0736102979 0.70
## 1207 FP172 -0.0404058364 0.70
## 1208 FP193 -0.0017617755 0.70
## 1209 FP204 -0.2214420681 0.70
## 1210 FP206 -0.2355032816 0.70
## 1211 MolWeight -0.0071031175 0.70
## 1212 NumMultBonds -0.0646492376 0.70
## 1213 NumRotBonds -0.0118190474 0.70
## 1214 NumCarbon -0.1200727172 0.70
## 1215 NumOxygen 0.1361853059 0.70
## 1216 NumSulfer -0.0900109434 0.70
## 1217 NumChlorine -0.2797318141 0.70
## 1218 HydrophilicFactor 0.0696293441 0.70
## 1219 SurfaceArea1 0.0053537512 0.70
## 1220 (Intercept) -0.3867786288 0.69
## 1221 FP011 0.1041491854 0.69
## 1222 FP039 -0.2038968875 0.69
## 1223 FP040 0.3254007084 0.69
## 1224 FP043 0.1685895852 0.69
## 1225 FP044 -0.5488024859 0.69
## 1226 FP050 -0.0038921250 0.69
## 1227 FP059 -0.5782751618 0.69
## 1228 FP063 0.2850948829 0.69
## 1229 FP072 0.4584343590 0.69
## 1230 FP073 0.0367867962 0.69
## 1231 FP074 0.1163292998 0.69
## 1232 FP084 0.0747062300 0.69
## 1233 FP094 -0.0567192259 0.69
## 1234 FP101 0.0396227725 0.69
## 1235 FP111 -0.1283600608 0.69
## 1236 FP124 0.0054472012 0.69
## 1237 FP135 0.2493512120 0.69
## 1238 FP142 0.3342292410 0.69
## 1239 FP147 0.0736102979 0.69
## 1240 FP172 -0.0404058364 0.69
## 1241 FP193 -0.0017617755 0.69
## 1242 FP204 -0.2214420681 0.69
## 1243 FP206 -0.2355032816 0.69
## 1244 MolWeight -0.0071031175 0.69
## 1245 NumMultBonds -0.0646492376 0.69
## 1246 NumRotBonds -0.0118190474 0.69
## 1247 NumCarbon -0.1200727172 0.69
## 1248 NumOxygen 0.1361853059 0.69
## 1249 NumSulfer -0.0900109434 0.69
## 1250 NumChlorine -0.2797318141 0.69
## 1251 HydrophilicFactor 0.0696293441 0.69
## 1252 SurfaceArea1 0.0053537512 0.69
## 1253 (Intercept) -0.3867786288 0.68
## 1254 FP011 0.1041491854 0.68
## 1255 FP039 -0.2038968875 0.68
## 1256 FP040 0.3254007084 0.68
## 1257 FP043 0.1685895852 0.68
## 1258 FP044 -0.5488024859 0.68
## 1259 FP050 -0.0038921250 0.68
## 1260 FP059 -0.5782751618 0.68
## 1261 FP063 0.2850948829 0.68
## 1262 FP072 0.4584343590 0.68
## 1263 FP073 0.0367867962 0.68
## 1264 FP074 0.1163292998 0.68
## 1265 FP084 0.0747062300 0.68
## 1266 FP094 -0.0567192259 0.68
## 1267 FP101 0.0396227725 0.68
## 1268 FP111 -0.1283600608 0.68
## 1269 FP124 0.0054472012 0.68
## 1270 FP135 0.2493512120 0.68
## 1271 FP142 0.3342292410 0.68
## 1272 FP147 0.0736102979 0.68
## 1273 FP172 -0.0404058364 0.68
## 1274 FP193 -0.0017617755 0.68
## 1275 FP204 -0.2214420681 0.68
## 1276 FP206 -0.2355032816 0.68
## 1277 MolWeight -0.0071031175 0.68
## 1278 NumMultBonds -0.0646492376 0.68
## 1279 NumRotBonds -0.0118190474 0.68
## 1280 NumCarbon -0.1200727172 0.68
## 1281 NumOxygen 0.1361853059 0.68
## 1282 NumSulfer -0.0900109434 0.68
## 1283 NumChlorine -0.2797318141 0.68
## 1284 HydrophilicFactor 0.0696293441 0.68
## 1285 SurfaceArea1 0.0053537512 0.68
## 1286 (Intercept) -0.3867786288 0.67
## 1287 FP011 0.1041491854 0.67
## 1288 FP039 -0.2038968875 0.67
## 1289 FP040 0.3254007084 0.67
## 1290 FP043 0.1685895852 0.67
## 1291 FP044 -0.5488024859 0.67
## 1292 FP050 -0.0038921250 0.67
## 1293 FP059 -0.5782751618 0.67
## 1294 FP063 0.2850948829 0.67
## 1295 FP072 0.4584343590 0.67
## 1296 FP073 0.0367867962 0.67
## 1297 FP074 0.1163292998 0.67
## 1298 FP084 0.0747062300 0.67
## 1299 FP094 -0.0567192259 0.67
## 1300 FP101 0.0396227725 0.67
## 1301 FP111 -0.1283600608 0.67
## 1302 FP124 0.0054472012 0.67
## 1303 FP135 0.2493512120 0.67
## 1304 FP142 0.3342292410 0.67
## 1305 FP147 0.0736102979 0.67
## 1306 FP172 -0.0404058364 0.67
## 1307 FP193 -0.0017617755 0.67
## 1308 FP204 -0.2214420681 0.67
## 1309 FP206 -0.2355032816 0.67
## 1310 MolWeight -0.0071031175 0.67
## 1311 NumMultBonds -0.0646492376 0.67
## 1312 NumRotBonds -0.0118190474 0.67
## 1313 NumCarbon -0.1200727172 0.67
## 1314 NumOxygen 0.1361853059 0.67
## 1315 NumSulfer -0.0900109434 0.67
## 1316 NumChlorine -0.2797318141 0.67
## 1317 HydrophilicFactor 0.0696293441 0.67
## 1318 SurfaceArea1 0.0053537512 0.67
## 1319 (Intercept) -0.3867786288 0.66
## 1320 FP011 0.1041491854 0.66
## 1321 FP039 -0.2038968875 0.66
## 1322 FP040 0.3254007084 0.66
## 1323 FP043 0.1685895852 0.66
## 1324 FP044 -0.5488024859 0.66
## 1325 FP050 -0.0038921250 0.66
## 1326 FP059 -0.5782751618 0.66
## 1327 FP063 0.2850948829 0.66
## 1328 FP072 0.4584343590 0.66
## 1329 FP073 0.0367867962 0.66
## 1330 FP074 0.1163292998 0.66
## 1331 FP084 0.0747062300 0.66
## 1332 FP094 -0.0567192259 0.66
## 1333 FP101 0.0396227725 0.66
## 1334 FP111 -0.1283600608 0.66
## 1335 FP124 0.0054472012 0.66
## 1336 FP135 0.2493512120 0.66
## 1337 FP142 0.3342292410 0.66
## 1338 FP147 0.0736102979 0.66
## 1339 FP172 -0.0404058364 0.66
## 1340 FP193 -0.0017617755 0.66
## 1341 FP204 -0.2214420681 0.66
## 1342 FP206 -0.2355032816 0.66
## 1343 MolWeight -0.0071031175 0.66
## 1344 NumMultBonds -0.0646492376 0.66
## 1345 NumRotBonds -0.0118190474 0.66
## 1346 NumCarbon -0.1200727172 0.66
## 1347 NumOxygen 0.1361853059 0.66
## 1348 NumSulfer -0.0900109434 0.66
## 1349 NumChlorine -0.2797318141 0.66
## 1350 HydrophilicFactor 0.0696293441 0.66
## 1351 SurfaceArea1 0.0053537512 0.66
## 1352 (Intercept) -0.3867786288 0.65
## 1353 FP011 0.1041491854 0.65
## 1354 FP039 -0.2038968875 0.65
## 1355 FP040 0.3254007084 0.65
## 1356 FP043 0.1685895852 0.65
## 1357 FP044 -0.5488024859 0.65
## 1358 FP050 -0.0038921250 0.65
## 1359 FP059 -0.5782751618 0.65
## 1360 FP063 0.2850948829 0.65
## 1361 FP072 0.4584343590 0.65
## 1362 FP073 0.0367867962 0.65
## 1363 FP074 0.1163292998 0.65
## 1364 FP084 0.0747062300 0.65
## 1365 FP094 -0.0567192259 0.65
## 1366 FP101 0.0396227725 0.65
## 1367 FP111 -0.1283600608 0.65
## 1368 FP124 0.0054472012 0.65
## 1369 FP135 0.2493512120 0.65
## 1370 FP142 0.3342292410 0.65
## 1371 FP147 0.0736102979 0.65
## 1372 FP172 -0.0404058364 0.65
## 1373 FP193 -0.0017617755 0.65
## 1374 FP204 -0.2214420681 0.65
## 1375 FP206 -0.2355032816 0.65
## 1376 MolWeight -0.0071031175 0.65
## 1377 NumMultBonds -0.0646492376 0.65
## 1378 NumRotBonds -0.0118190474 0.65
## 1379 NumCarbon -0.1200727172 0.65
## 1380 NumOxygen 0.1361853059 0.65
## 1381 NumSulfer -0.0900109434 0.65
## 1382 NumChlorine -0.2797318141 0.65
## 1383 HydrophilicFactor 0.0696293441 0.65
## 1384 SurfaceArea1 0.0053537512 0.65
## 1385 (Intercept) -0.3867786288 0.64
## 1386 FP011 0.1041491854 0.64
## 1387 FP039 -0.2038968875 0.64
## 1388 FP040 0.3254007084 0.64
## 1389 FP043 0.1685895852 0.64
## 1390 FP044 -0.5488024859 0.64
## 1391 FP050 -0.0038921250 0.64
## 1392 FP059 -0.5782751618 0.64
## 1393 FP063 0.2850948829 0.64
## 1394 FP072 0.4584343590 0.64
## 1395 FP073 0.0367867962 0.64
## 1396 FP074 0.1163292998 0.64
## 1397 FP084 0.0747062300 0.64
## 1398 FP094 -0.0567192259 0.64
## 1399 FP101 0.0396227725 0.64
## 1400 FP111 -0.1283600608 0.64
## 1401 FP124 0.0054472012 0.64
## 1402 FP135 0.2493512120 0.64
## 1403 FP142 0.3342292410 0.64
## 1404 FP147 0.0736102979 0.64
## 1405 FP172 -0.0404058364 0.64
## 1406 FP193 -0.0017617755 0.64
## 1407 FP204 -0.2214420681 0.64
## 1408 FP206 -0.2355032816 0.64
## 1409 MolWeight -0.0071031175 0.64
## 1410 NumMultBonds -0.0646492376 0.64
## 1411 NumRotBonds -0.0118190474 0.64
## 1412 NumCarbon -0.1200727172 0.64
## 1413 NumOxygen 0.1361853059 0.64
## 1414 NumSulfer -0.0900109434 0.64
## 1415 NumChlorine -0.2797318141 0.64
## 1416 HydrophilicFactor 0.0696293441 0.64
## 1417 SurfaceArea1 0.0053537512 0.64
## 1418 (Intercept) -0.3867786288 0.63
## 1419 FP011 0.1041491854 0.63
## 1420 FP039 -0.2038968875 0.63
## 1421 FP040 0.3254007084 0.63
## 1422 FP043 0.1685895852 0.63
## 1423 FP044 -0.5488024859 0.63
## 1424 FP050 -0.0038921250 0.63
## 1425 FP059 -0.5782751618 0.63
## 1426 FP063 0.2850948829 0.63
## 1427 FP072 0.4584343590 0.63
## 1428 FP073 0.0367867962 0.63
## 1429 FP074 0.1163292998 0.63
## 1430 FP084 0.0747062300 0.63
## 1431 FP094 -0.0567192259 0.63
## 1432 FP101 0.0396227725 0.63
## 1433 FP111 -0.1283600608 0.63
## 1434 FP124 0.0054472012 0.63
## 1435 FP135 0.2493512120 0.63
## 1436 FP142 0.3342292410 0.63
## 1437 FP147 0.0736102979 0.63
## 1438 FP172 -0.0404058364 0.63
## 1439 FP193 -0.0017617755 0.63
## 1440 FP204 -0.2214420681 0.63
## 1441 FP206 -0.2355032816 0.63
## 1442 MolWeight -0.0071031175 0.63
## 1443 NumMultBonds -0.0646492376 0.63
## 1444 NumRotBonds -0.0118190474 0.63
## 1445 NumCarbon -0.1200727172 0.63
## 1446 NumOxygen 0.1361853059 0.63
## 1447 NumSulfer -0.0900109434 0.63
## 1448 NumChlorine -0.2797318141 0.63
## 1449 HydrophilicFactor 0.0696293441 0.63
## 1450 SurfaceArea1 0.0053537512 0.63
## 1451 (Intercept) -0.3867786288 0.62
## 1452 FP011 0.1041491854 0.62
## 1453 FP039 -0.2038968875 0.62
## 1454 FP040 0.3254007084 0.62
## 1455 FP043 0.1685895852 0.62
## 1456 FP044 -0.5488024859 0.62
## 1457 FP050 -0.0038921250 0.62
## 1458 FP059 -0.5782751618 0.62
## 1459 FP063 0.2850948829 0.62
## 1460 FP072 0.4584343590 0.62
## 1461 FP073 0.0367867962 0.62
## 1462 FP074 0.1163292998 0.62
## 1463 FP084 0.0747062300 0.62
## 1464 FP094 -0.0567192259 0.62
## 1465 FP101 0.0396227725 0.62
## 1466 FP111 -0.1283600608 0.62
## 1467 FP124 0.0054472012 0.62
## 1468 FP135 0.2493512120 0.62
## 1469 FP142 0.3342292410 0.62
## 1470 FP147 0.0736102979 0.62
## 1471 FP172 -0.0404058364 0.62
## 1472 FP193 -0.0017617755 0.62
## 1473 FP204 -0.2214420681 0.62
## 1474 FP206 -0.2355032816 0.62
## 1475 MolWeight -0.0071031175 0.62
## 1476 NumMultBonds -0.0646492376 0.62
## 1477 NumRotBonds -0.0118190474 0.62
## 1478 NumCarbon -0.1200727172 0.62
## 1479 NumOxygen 0.1361853059 0.62
## 1480 NumSulfer -0.0900109434 0.62
## 1481 NumChlorine -0.2797318141 0.62
## 1482 HydrophilicFactor 0.0696293441 0.62
## 1483 SurfaceArea1 0.0053537512 0.62
## 1484 (Intercept) -0.3867786288 0.61
## 1485 FP011 0.1041491854 0.61
## 1486 FP039 -0.2038968875 0.61
## 1487 FP040 0.3254007084 0.61
## 1488 FP043 0.1685895852 0.61
## 1489 FP044 -0.5488024859 0.61
## 1490 FP050 -0.0038921250 0.61
## 1491 FP059 -0.5782751618 0.61
## 1492 FP063 0.2850948829 0.61
## 1493 FP072 0.4584343590 0.61
## 1494 FP073 0.0367867962 0.61
## 1495 FP074 0.1163292998 0.61
## 1496 FP084 0.0747062300 0.61
## 1497 FP094 -0.0567192259 0.61
## 1498 FP101 0.0396227725 0.61
## 1499 FP111 -0.1283600608 0.61
## 1500 FP124 0.0054472012 0.61
## 1501 FP135 0.2493512120 0.61
## 1502 FP142 0.3342292410 0.61
## 1503 FP147 0.0736102979 0.61
## 1504 FP172 -0.0404058364 0.61
## 1505 FP193 -0.0017617755 0.61
## 1506 FP204 -0.2214420681 0.61
## 1507 FP206 -0.2355032816 0.61
## 1508 MolWeight -0.0071031175 0.61
## 1509 NumMultBonds -0.0646492376 0.61
## 1510 NumRotBonds -0.0118190474 0.61
## 1511 NumCarbon -0.1200727172 0.61
## 1512 NumOxygen 0.1361853059 0.61
## 1513 NumSulfer -0.0900109434 0.61
## 1514 NumChlorine -0.2797318141 0.61
## 1515 HydrophilicFactor 0.0696293441 0.61
## 1516 SurfaceArea1 0.0053537512 0.61
## 1517 (Intercept) -0.3867786288 0.60
## 1518 FP011 0.1041491854 0.60
## 1519 FP039 -0.2038968875 0.60
## 1520 FP040 0.3254007084 0.60
## 1521 FP043 0.1685895852 0.60
## 1522 FP044 -0.5488024859 0.60
## 1523 FP050 -0.0038921250 0.60
## 1524 FP059 -0.5782751618 0.60
## 1525 FP063 0.2850948829 0.60
## 1526 FP072 0.4584343590 0.60
## 1527 FP073 0.0367867962 0.60
## 1528 FP074 0.1163292998 0.60
## 1529 FP084 0.0747062300 0.60
## 1530 FP094 -0.0567192259 0.60
## 1531 FP101 0.0396227725 0.60
## 1532 FP111 -0.1283600608 0.60
## 1533 FP124 0.0054472012 0.60
## 1534 FP135 0.2493512120 0.60
## 1535 FP142 0.3342292410 0.60
## 1536 FP147 0.0736102979 0.60
## 1537 FP172 -0.0404058364 0.60
## 1538 FP193 -0.0017617755 0.60
## 1539 FP204 -0.2214420681 0.60
## 1540 FP206 -0.2355032816 0.60
## 1541 MolWeight -0.0071031175 0.60
## 1542 NumMultBonds -0.0646492376 0.60
## 1543 NumRotBonds -0.0118190474 0.60
## 1544 NumCarbon -0.1200727172 0.60
## 1545 NumOxygen 0.1361853059 0.60
## 1546 NumSulfer -0.0900109434 0.60
## 1547 NumChlorine -0.2797318141 0.60
## 1548 HydrophilicFactor 0.0696293441 0.60
## 1549 SurfaceArea1 0.0053537512 0.60
## 1550 (Intercept) -0.3867786288 0.59
## 1551 FP011 0.1041491854 0.59
## 1552 FP039 -0.2038968875 0.59
## 1553 FP040 0.3254007084 0.59
## 1554 FP043 0.1685895852 0.59
## 1555 FP044 -0.5488024859 0.59
## 1556 FP050 -0.0038921250 0.59
## 1557 FP059 -0.5782751618 0.59
## 1558 FP063 0.2850948829 0.59
## 1559 FP072 0.4584343590 0.59
## 1560 FP073 0.0367867962 0.59
## 1561 FP074 0.1163292998 0.59
## 1562 FP084 0.0747062300 0.59
## 1563 FP094 -0.0567192259 0.59
## 1564 FP101 0.0396227725 0.59
## 1565 FP111 -0.1283600608 0.59
## 1566 FP124 0.0054472012 0.59
## 1567 FP135 0.2493512120 0.59
## 1568 FP142 0.3342292410 0.59
## 1569 FP147 0.0736102979 0.59
## 1570 FP172 -0.0404058364 0.59
## 1571 FP193 -0.0017617755 0.59
## 1572 FP204 -0.2214420681 0.59
## 1573 FP206 -0.2355032816 0.59
## 1574 MolWeight -0.0071031175 0.59
## 1575 NumMultBonds -0.0646492376 0.59
## 1576 NumRotBonds -0.0118190474 0.59
## 1577 NumCarbon -0.1200727172 0.59
## 1578 NumOxygen 0.1361853059 0.59
## 1579 NumSulfer -0.0900109434 0.59
## 1580 NumChlorine -0.2797318141 0.59
## 1581 HydrophilicFactor 0.0696293441 0.59
## 1582 SurfaceArea1 0.0053537512 0.59
## 1583 (Intercept) -0.3867786288 0.58
## 1584 FP011 0.1041491854 0.58
## 1585 FP039 -0.2038968875 0.58
## 1586 FP040 0.3254007084 0.58
## 1587 FP043 0.1685895852 0.58
## 1588 FP044 -0.5488024859 0.58
## 1589 FP050 -0.0038921250 0.58
## 1590 FP059 -0.5782751618 0.58
## 1591 FP063 0.2850948829 0.58
## 1592 FP072 0.4584343590 0.58
## 1593 FP073 0.0367867962 0.58
## 1594 FP074 0.1163292998 0.58
## 1595 FP084 0.0747062300 0.58
## 1596 FP094 -0.0567192259 0.58
## 1597 FP101 0.0396227725 0.58
## 1598 FP111 -0.1283600608 0.58
## 1599 FP124 0.0054472012 0.58
## 1600 FP135 0.2493512120 0.58
## 1601 FP142 0.3342292410 0.58
## 1602 FP147 0.0736102979 0.58
## 1603 FP172 -0.0404058364 0.58
## 1604 FP193 -0.0017617755 0.58
## 1605 FP204 -0.2214420681 0.58
## 1606 FP206 -0.2355032816 0.58
## 1607 MolWeight -0.0071031175 0.58
## 1608 NumMultBonds -0.0646492376 0.58
## 1609 NumRotBonds -0.0118190474 0.58
## 1610 NumCarbon -0.1200727172 0.58
## 1611 NumOxygen 0.1361853059 0.58
## 1612 NumSulfer -0.0900109434 0.58
## 1613 NumChlorine -0.2797318141 0.58
## 1614 HydrophilicFactor 0.0696293441 0.58
## 1615 SurfaceArea1 0.0053537512 0.58
## 1616 (Intercept) -0.3867786288 0.57
## 1617 FP011 0.1041491854 0.57
## 1618 FP039 -0.2038968875 0.57
## 1619 FP040 0.3254007084 0.57
## 1620 FP043 0.1685895852 0.57
## 1621 FP044 -0.5488024859 0.57
## 1622 FP050 -0.0038921250 0.57
## 1623 FP059 -0.5782751618 0.57
## 1624 FP063 0.2850948829 0.57
## 1625 FP072 0.4584343590 0.57
## 1626 FP073 0.0367867962 0.57
## 1627 FP074 0.1163292998 0.57
## 1628 FP084 0.0747062300 0.57
## 1629 FP094 -0.0567192259 0.57
## 1630 FP101 0.0396227725 0.57
## 1631 FP111 -0.1283600608 0.57
## 1632 FP124 0.0054472012 0.57
## 1633 FP135 0.2493512120 0.57
## 1634 FP142 0.3342292410 0.57
## 1635 FP147 0.0736102979 0.57
## 1636 FP172 -0.0404058364 0.57
## 1637 FP193 -0.0017617755 0.57
## 1638 FP204 -0.2214420681 0.57
## 1639 FP206 -0.2355032816 0.57
## 1640 MolWeight -0.0071031175 0.57
## 1641 NumMultBonds -0.0646492376 0.57
## 1642 NumRotBonds -0.0118190474 0.57
## 1643 NumCarbon -0.1200727172 0.57
## 1644 NumOxygen 0.1361853059 0.57
## 1645 NumSulfer -0.0900109434 0.57
## 1646 NumChlorine -0.2797318141 0.57
## 1647 HydrophilicFactor 0.0696293441 0.57
## 1648 SurfaceArea1 0.0053537512 0.57
## 1649 (Intercept) -0.3867786288 0.56
## 1650 FP011 0.1041491854 0.56
## 1651 FP039 -0.2038968875 0.56
## 1652 FP040 0.3254007084 0.56
## 1653 FP043 0.1685895852 0.56
## 1654 FP044 -0.5488024859 0.56
## 1655 FP050 -0.0038921250 0.56
## 1656 FP059 -0.5782751618 0.56
## 1657 FP063 0.2850948829 0.56
## 1658 FP072 0.4584343590 0.56
## 1659 FP073 0.0367867962 0.56
## 1660 FP074 0.1163292998 0.56
## 1661 FP084 0.0747062300 0.56
## 1662 FP094 -0.0567192259 0.56
## 1663 FP101 0.0396227725 0.56
## 1664 FP111 -0.1283600608 0.56
## 1665 FP124 0.0054472012 0.56
## 1666 FP135 0.2493512120 0.56
## 1667 FP142 0.3342292410 0.56
## 1668 FP147 0.0736102979 0.56
## 1669 FP172 -0.0404058364 0.56
## 1670 FP193 -0.0017617755 0.56
## 1671 FP204 -0.2214420681 0.56
## 1672 FP206 -0.2355032816 0.56
## 1673 MolWeight -0.0071031175 0.56
## 1674 NumMultBonds -0.0646492376 0.56
## 1675 NumRotBonds -0.0118190474 0.56
## 1676 NumCarbon -0.1200727172 0.56
## 1677 NumOxygen 0.1361853059 0.56
## 1678 NumSulfer -0.0900109434 0.56
## 1679 NumChlorine -0.2797318141 0.56
## 1680 HydrophilicFactor 0.0696293441 0.56
## 1681 SurfaceArea1 0.0053537512 0.56
## 1682 (Intercept) -0.3867786288 0.55
## 1683 FP011 0.1041491854 0.55
## 1684 FP039 -0.2038968875 0.55
## 1685 FP040 0.3254007084 0.55
## 1686 FP043 0.1685895852 0.55
## 1687 FP044 -0.5488024859 0.55
## 1688 FP050 -0.0038921250 0.55
## 1689 FP059 -0.5782751618 0.55
## 1690 FP063 0.2850948829 0.55
## 1691 FP072 0.4584343590 0.55
## 1692 FP073 0.0367867962 0.55
## 1693 FP074 0.1163292998 0.55
## 1694 FP084 0.0747062300 0.55
## 1695 FP094 -0.0567192259 0.55
## 1696 FP101 0.0396227725 0.55
## 1697 FP111 -0.1283600608 0.55
## 1698 FP124 0.0054472012 0.55
## 1699 FP135 0.2493512120 0.55
## 1700 FP142 0.3342292410 0.55
## 1701 FP147 0.0736102979 0.55
## 1702 FP172 -0.0404058364 0.55
## 1703 FP193 -0.0017617755 0.55
## 1704 FP204 -0.2214420681 0.55
## 1705 FP206 -0.2355032816 0.55
## 1706 MolWeight -0.0071031175 0.55
## 1707 NumMultBonds -0.0646492376 0.55
## 1708 NumRotBonds -0.0118190474 0.55
## 1709 NumCarbon -0.1200727172 0.55
## 1710 NumOxygen 0.1361853059 0.55
## 1711 NumSulfer -0.0900109434 0.55
## 1712 NumChlorine -0.2797318141 0.55
## 1713 HydrophilicFactor 0.0696293441 0.55
## 1714 SurfaceArea1 0.0053537512 0.55
## 1715 (Intercept) -0.3867786288 0.54
## 1716 FP011 0.1041491854 0.54
## 1717 FP039 -0.2038968875 0.54
## 1718 FP040 0.3254007084 0.54
## 1719 FP043 0.1685895852 0.54
## 1720 FP044 -0.5488024859 0.54
## 1721 FP050 -0.0038921250 0.54
## 1722 FP059 -0.5782751618 0.54
## 1723 FP063 0.2850948829 0.54
## 1724 FP072 0.4584343590 0.54
## 1725 FP073 0.0367867962 0.54
## 1726 FP074 0.1163292998 0.54
## 1727 FP084 0.0747062300 0.54
## 1728 FP094 -0.0567192259 0.54
## 1729 FP101 0.0396227725 0.54
## 1730 FP111 -0.1283600608 0.54
## 1731 FP124 0.0054472012 0.54
## 1732 FP135 0.2493512120 0.54
## 1733 FP142 0.3342292410 0.54
## 1734 FP147 0.0736102979 0.54
## 1735 FP172 -0.0404058364 0.54
## 1736 FP193 -0.0017617755 0.54
## 1737 FP204 -0.2214420681 0.54
## 1738 FP206 -0.2355032816 0.54
## 1739 MolWeight -0.0071031175 0.54
## 1740 NumMultBonds -0.0646492376 0.54
## 1741 NumRotBonds -0.0118190474 0.54
## 1742 NumCarbon -0.1200727172 0.54
## 1743 NumOxygen 0.1361853059 0.54
## 1744 NumSulfer -0.0900109434 0.54
## 1745 NumChlorine -0.2797318141 0.54
## 1746 HydrophilicFactor 0.0696293441 0.54
## 1747 SurfaceArea1 0.0053537512 0.54
## 1748 (Intercept) -0.3867786288 0.53
## 1749 FP011 0.1041491854 0.53
## 1750 FP039 -0.2038968875 0.53
## 1751 FP040 0.3254007084 0.53
## 1752 FP043 0.1685895852 0.53
## 1753 FP044 -0.5488024859 0.53
## 1754 FP050 -0.0038921250 0.53
## 1755 FP059 -0.5782751618 0.53
## 1756 FP063 0.2850948829 0.53
## 1757 FP072 0.4584343590 0.53
## 1758 FP073 0.0367867962 0.53
## 1759 FP074 0.1163292998 0.53
## 1760 FP084 0.0747062300 0.53
## 1761 FP094 -0.0567192259 0.53
## 1762 FP101 0.0396227725 0.53
## 1763 FP111 -0.1283600608 0.53
## 1764 FP124 0.0054472012 0.53
## 1765 FP135 0.2493512120 0.53
## 1766 FP142 0.3342292410 0.53
## 1767 FP147 0.0736102979 0.53
## 1768 FP172 -0.0404058364 0.53
## 1769 FP193 -0.0017617755 0.53
## 1770 FP204 -0.2214420681 0.53
## 1771 FP206 -0.2355032816 0.53
## 1772 MolWeight -0.0071031175 0.53
## 1773 NumMultBonds -0.0646492376 0.53
## 1774 NumRotBonds -0.0118190474 0.53
## 1775 NumCarbon -0.1200727172 0.53
## 1776 NumOxygen 0.1361853059 0.53
## 1777 NumSulfer -0.0900109434 0.53
## 1778 NumChlorine -0.2797318141 0.53
## 1779 HydrophilicFactor 0.0696293441 0.53
## 1780 SurfaceArea1 0.0053537512 0.53
## 1781 (Intercept) -0.3867786288 0.52
## 1782 FP011 0.1041491854 0.52
## 1783 FP039 -0.2038968875 0.52
## 1784 FP040 0.3254007084 0.52
## 1785 FP043 0.1685895852 0.52
## 1786 FP044 -0.5488024859 0.52
## 1787 FP050 -0.0038921250 0.52
## 1788 FP059 -0.5782751618 0.52
## 1789 FP063 0.2850948829 0.52
## 1790 FP072 0.4584343590 0.52
## 1791 FP073 0.0367867962 0.52
## 1792 FP074 0.1163292998 0.52
## 1793 FP084 0.0747062300 0.52
## 1794 FP094 -0.0567192259 0.52
## 1795 FP101 0.0396227725 0.52
## 1796 FP111 -0.1283600608 0.52
## 1797 FP124 0.0054472012 0.52
## 1798 FP135 0.2493512120 0.52
## 1799 FP142 0.3342292410 0.52
## 1800 FP147 0.0736102979 0.52
## 1801 FP172 -0.0404058364 0.52
## 1802 FP193 -0.0017617755 0.52
## 1803 FP204 -0.2214420681 0.52
## 1804 FP206 -0.2355032816 0.52
## 1805 MolWeight -0.0071031175 0.52
## 1806 NumMultBonds -0.0646492376 0.52
## 1807 NumRotBonds -0.0118190474 0.52
## 1808 NumCarbon -0.1200727172 0.52
## 1809 NumOxygen 0.1361853059 0.52
## 1810 NumSulfer -0.0900109434 0.52
## 1811 NumChlorine -0.2797318141 0.52
## 1812 HydrophilicFactor 0.0696293441 0.52
## 1813 SurfaceArea1 0.0053537512 0.52
## 1814 (Intercept) -0.3867786288 0.51
## 1815 FP011 0.1041491854 0.51
## 1816 FP039 -0.2038968875 0.51
## 1817 FP040 0.3254007084 0.51
## 1818 FP043 0.1685895852 0.51
## 1819 FP044 -0.5488024859 0.51
## 1820 FP050 -0.0038921250 0.51
## 1821 FP059 -0.5782751618 0.51
## 1822 FP063 0.2850948829 0.51
## 1823 FP072 0.4584343590 0.51
## 1824 FP073 0.0367867962 0.51
## 1825 FP074 0.1163292998 0.51
## 1826 FP084 0.0747062300 0.51
## 1827 FP094 -0.0567192259 0.51
## 1828 FP101 0.0396227725 0.51
## 1829 FP111 -0.1283600608 0.51
## 1830 FP124 0.0054472012 0.51
## 1831 FP135 0.2493512120 0.51
## 1832 FP142 0.3342292410 0.51
## 1833 FP147 0.0736102979 0.51
## 1834 FP172 -0.0404058364 0.51
## 1835 FP193 -0.0017617755 0.51
## 1836 FP204 -0.2214420681 0.51
## 1837 FP206 -0.2355032816 0.51
## 1838 MolWeight -0.0071031175 0.51
## 1839 NumMultBonds -0.0646492376 0.51
## 1840 NumRotBonds -0.0118190474 0.51
## 1841 NumCarbon -0.1200727172 0.51
## 1842 NumOxygen 0.1361853059 0.51
## 1843 NumSulfer -0.0900109434 0.51
## 1844 NumChlorine -0.2797318141 0.51
## 1845 HydrophilicFactor 0.0696293441 0.51
## 1846 SurfaceArea1 0.0053537512 0.51
## 1847 (Intercept) -0.3867786288 0.50
## 1848 FP011 0.1041491854 0.50
## 1849 FP039 -0.2038968875 0.50
## 1850 FP040 0.3254007084 0.50
## 1851 FP043 0.1685895852 0.50
## 1852 FP044 -0.5488024859 0.50
## 1853 FP050 -0.0038921250 0.50
## 1854 FP059 -0.5782751618 0.50
## 1855 FP063 0.2850948829 0.50
## 1856 FP072 0.4584343590 0.50
## 1857 FP073 0.0367867962 0.50
## 1858 FP074 0.1163292998 0.50
## 1859 FP084 0.0747062300 0.50
## 1860 FP094 -0.0567192259 0.50
## 1861 FP101 0.0396227725 0.50
## 1862 FP111 -0.1283600608 0.50
## 1863 FP124 0.0054472012 0.50
## 1864 FP135 0.2493512120 0.50
## 1865 FP142 0.3342292410 0.50
## 1866 FP147 0.0736102979 0.50
## 1867 FP172 -0.0404058364 0.50
## 1868 FP193 -0.0017617755 0.50
## 1869 FP204 -0.2214420681 0.50
## 1870 FP206 -0.2355032816 0.50
## 1871 MolWeight -0.0071031175 0.50
## 1872 NumMultBonds -0.0646492376 0.50
## 1873 NumRotBonds -0.0118190474 0.50
## 1874 NumCarbon -0.1200727172 0.50
## 1875 NumOxygen 0.1361853059 0.50
## 1876 NumSulfer -0.0900109434 0.50
## 1877 NumChlorine -0.2797318141 0.50
## 1878 HydrophilicFactor 0.0696293441 0.50
## 1879 SurfaceArea1 0.0053537512 0.50
## 1880 (Intercept) -0.3867786288 0.49
## 1881 FP011 0.1041491854 0.49
## 1882 FP039 -0.2038968875 0.49
## 1883 FP040 0.3254007084 0.49
## 1884 FP043 0.1685895852 0.49
## 1885 FP044 -0.5488024859 0.49
## 1886 FP050 -0.0038921250 0.49
## 1887 FP059 -0.5782751618 0.49
## 1888 FP063 0.2850948829 0.49
## 1889 FP072 0.4584343590 0.49
## 1890 FP073 0.0367867962 0.49
## 1891 FP074 0.1163292998 0.49
## 1892 FP084 0.0747062300 0.49
## 1893 FP094 -0.0567192259 0.49
## 1894 FP101 0.0396227725 0.49
## 1895 FP111 -0.1283600608 0.49
## 1896 FP124 0.0054472012 0.49
## 1897 FP135 0.2493512120 0.49
## 1898 FP142 0.3342292410 0.49
## 1899 FP147 0.0736102979 0.49
## 1900 FP172 -0.0404058364 0.49
## 1901 FP193 -0.0017617755 0.49
## 1902 FP204 -0.2214420681 0.49
## 1903 FP206 -0.2355032816 0.49
## 1904 MolWeight -0.0071031175 0.49
## 1905 NumMultBonds -0.0646492376 0.49
## 1906 NumRotBonds -0.0118190474 0.49
## 1907 NumCarbon -0.1200727172 0.49
## 1908 NumOxygen 0.1361853059 0.49
## 1909 NumSulfer -0.0900109434 0.49
## 1910 NumChlorine -0.2797318141 0.49
## 1911 HydrophilicFactor 0.0696293441 0.49
## 1912 SurfaceArea1 0.0053537512 0.49
## 1913 (Intercept) -0.3867786288 0.48
## 1914 FP011 0.1041491854 0.48
## 1915 FP039 -0.2038968875 0.48
## 1916 FP040 0.3254007084 0.48
## 1917 FP043 0.1685895852 0.48
## 1918 FP044 -0.5488024859 0.48
## 1919 FP050 -0.0038921250 0.48
## 1920 FP059 -0.5782751618 0.48
## 1921 FP063 0.2850948829 0.48
## 1922 FP072 0.4584343590 0.48
## 1923 FP073 0.0367867962 0.48
## 1924 FP074 0.1163292998 0.48
## 1925 FP084 0.0747062300 0.48
## 1926 FP094 -0.0567192259 0.48
## 1927 FP101 0.0396227725 0.48
## 1928 FP111 -0.1283600608 0.48
## 1929 FP124 0.0054472012 0.48
## 1930 FP135 0.2493512120 0.48
## 1931 FP142 0.3342292410 0.48
## 1932 FP147 0.0736102979 0.48
## 1933 FP172 -0.0404058364 0.48
## 1934 FP193 -0.0017617755 0.48
## 1935 FP204 -0.2214420681 0.48
## 1936 FP206 -0.2355032816 0.48
## 1937 MolWeight -0.0071031175 0.48
## 1938 NumMultBonds -0.0646492376 0.48
## 1939 NumRotBonds -0.0118190474 0.48
## 1940 NumCarbon -0.1200727172 0.48
## 1941 NumOxygen 0.1361853059 0.48
## 1942 NumSulfer -0.0900109434 0.48
## 1943 NumChlorine -0.2797318141 0.48
## 1944 HydrophilicFactor 0.0696293441 0.48
## 1945 SurfaceArea1 0.0053537512 0.48
## 1946 (Intercept) -0.3867786288 0.47
## 1947 FP011 0.1041491854 0.47
## 1948 FP039 -0.2038968875 0.47
## 1949 FP040 0.3254007084 0.47
## 1950 FP043 0.1685895852 0.47
## 1951 FP044 -0.5488024859 0.47
## 1952 FP050 -0.0038921250 0.47
## 1953 FP059 -0.5782751618 0.47
## 1954 FP063 0.2850948829 0.47
## 1955 FP072 0.4584343590 0.47
## 1956 FP073 0.0367867962 0.47
## 1957 FP074 0.1163292998 0.47
## 1958 FP084 0.0747062300 0.47
## 1959 FP094 -0.0567192259 0.47
## 1960 FP101 0.0396227725 0.47
## 1961 FP111 -0.1283600608 0.47
## 1962 FP124 0.0054472012 0.47
## 1963 FP135 0.2493512120 0.47
## 1964 FP142 0.3342292410 0.47
## 1965 FP147 0.0736102979 0.47
## 1966 FP172 -0.0404058364 0.47
## 1967 FP193 -0.0017617755 0.47
## 1968 FP204 -0.2214420681 0.47
## 1969 FP206 -0.2355032816 0.47
## 1970 MolWeight -0.0071031175 0.47
## 1971 NumMultBonds -0.0646492376 0.47
## 1972 NumRotBonds -0.0118190474 0.47
## 1973 NumCarbon -0.1200727172 0.47
## 1974 NumOxygen 0.1361853059 0.47
## 1975 NumSulfer -0.0900109434 0.47
## 1976 NumChlorine -0.2797318141 0.47
## 1977 HydrophilicFactor 0.0696293441 0.47
## 1978 SurfaceArea1 0.0053537512 0.47
## 1979 (Intercept) -0.3867786288 0.46
## 1980 FP011 0.1041491854 0.46
## 1981 FP039 -0.2038968875 0.46
## 1982 FP040 0.3254007084 0.46
## 1983 FP043 0.1685895852 0.46
## 1984 FP044 -0.5488024859 0.46
## 1985 FP050 -0.0038921250 0.46
## 1986 FP059 -0.5782751618 0.46
## 1987 FP063 0.2850948829 0.46
## 1988 FP072 0.4584343590 0.46
## 1989 FP073 0.0367867962 0.46
## 1990 FP074 0.1163292998 0.46
## 1991 FP084 0.0747062300 0.46
## 1992 FP094 -0.0567192259 0.46
## 1993 FP101 0.0396227725 0.46
## 1994 FP111 -0.1283600608 0.46
## 1995 FP124 0.0054472012 0.46
## 1996 FP135 0.2493512120 0.46
## 1997 FP142 0.3342292410 0.46
## 1998 FP147 0.0736102979 0.46
## 1999 FP172 -0.0404058364 0.46
## 2000 FP193 -0.0017617755 0.46
## 2001 FP204 -0.2214420681 0.46
## 2002 FP206 -0.2355032816 0.46
## 2003 MolWeight -0.0071031175 0.46
## 2004 NumMultBonds -0.0646492376 0.46
## 2005 NumRotBonds -0.0118190474 0.46
## 2006 NumCarbon -0.1200727172 0.46
## 2007 NumOxygen 0.1361853059 0.46
## 2008 NumSulfer -0.0900109434 0.46
## 2009 NumChlorine -0.2797318141 0.46
## 2010 HydrophilicFactor 0.0696293441 0.46
## 2011 SurfaceArea1 0.0053537512 0.46
## 2012 (Intercept) -0.3867786288 0.45
## 2013 FP011 0.1041491854 0.45
## 2014 FP039 -0.2038968875 0.45
## 2015 FP040 0.3254007084 0.45
## 2016 FP043 0.1685895852 0.45
## 2017 FP044 -0.5488024859 0.45
## 2018 FP050 -0.0038921250 0.45
## 2019 FP059 -0.5782751618 0.45
## 2020 FP063 0.2850948829 0.45
## 2021 FP072 0.4584343590 0.45
## 2022 FP073 0.0367867962 0.45
## 2023 FP074 0.1163292998 0.45
## 2024 FP084 0.0747062300 0.45
## 2025 FP094 -0.0567192259 0.45
## 2026 FP101 0.0396227725 0.45
## 2027 FP111 -0.1283600608 0.45
## 2028 FP124 0.0054472012 0.45
## 2029 FP135 0.2493512120 0.45
## 2030 FP142 0.3342292410 0.45
## 2031 FP147 0.0736102979 0.45
## 2032 FP172 -0.0404058364 0.45
## 2033 FP193 -0.0017617755 0.45
## 2034 FP204 -0.2214420681 0.45
## 2035 FP206 -0.2355032816 0.45
## 2036 MolWeight -0.0071031175 0.45
## 2037 NumMultBonds -0.0646492376 0.45
## 2038 NumRotBonds -0.0118190474 0.45
## 2039 NumCarbon -0.1200727172 0.45
## 2040 NumOxygen 0.1361853059 0.45
## 2041 NumSulfer -0.0900109434 0.45
## 2042 NumChlorine -0.2797318141 0.45
## 2043 HydrophilicFactor 0.0696293441 0.45
## 2044 SurfaceArea1 0.0053537512 0.45
## 2045 (Intercept) -0.3867786288 0.44
## 2046 FP011 0.1041491854 0.44
## 2047 FP039 -0.2038968875 0.44
## 2048 FP040 0.3254007084 0.44
## 2049 FP043 0.1685895852 0.44
## 2050 FP044 -0.5488024859 0.44
## 2051 FP050 -0.0038921250 0.44
## 2052 FP059 -0.5782751618 0.44
## 2053 FP063 0.2850948829 0.44
## 2054 FP072 0.4584343590 0.44
## 2055 FP073 0.0367867962 0.44
## 2056 FP074 0.1163292998 0.44
## 2057 FP084 0.0747062300 0.44
## 2058 FP094 -0.0567192259 0.44
## 2059 FP101 0.0396227725 0.44
## 2060 FP111 -0.1283600608 0.44
## 2061 FP124 0.0054472012 0.44
## 2062 FP135 0.2493512120 0.44
## 2063 FP142 0.3342292410 0.44
## 2064 FP147 0.0736102979 0.44
## 2065 FP172 -0.0404058364 0.44
## 2066 FP193 -0.0017617755 0.44
## 2067 FP204 -0.2214420681 0.44
## 2068 FP206 -0.2355032816 0.44
## 2069 MolWeight -0.0071031175 0.44
## 2070 NumMultBonds -0.0646492376 0.44
## 2071 NumRotBonds -0.0118190474 0.44
## 2072 NumCarbon -0.1200727172 0.44
## 2073 NumOxygen 0.1361853059 0.44
## 2074 NumSulfer -0.0900109434 0.44
## 2075 NumChlorine -0.2797318141 0.44
## 2076 HydrophilicFactor 0.0696293441 0.44
## 2077 SurfaceArea1 0.0053537512 0.44
## 2078 (Intercept) -0.3867786288 0.43
## 2079 FP011 0.1041491854 0.43
## 2080 FP039 -0.2038968875 0.43
## 2081 FP040 0.3254007084 0.43
## 2082 FP043 0.1685895852 0.43
## 2083 FP044 -0.5488024859 0.43
## 2084 FP050 -0.0038921250 0.43
## 2085 FP059 -0.5782751618 0.43
## 2086 FP063 0.2850948829 0.43
## 2087 FP072 0.4584343590 0.43
## 2088 FP073 0.0367867962 0.43
## 2089 FP074 0.1163292998 0.43
## 2090 FP084 0.0747062300 0.43
## 2091 FP094 -0.0567192259 0.43
## 2092 FP101 0.0396227725 0.43
## 2093 FP111 -0.1283600608 0.43
## 2094 FP124 0.0054472012 0.43
## 2095 FP135 0.2493512120 0.43
## 2096 FP142 0.3342292410 0.43
## 2097 FP147 0.0736102979 0.43
## 2098 FP172 -0.0404058364 0.43
## 2099 FP193 -0.0017617755 0.43
## 2100 FP204 -0.2214420681 0.43
## 2101 FP206 -0.2355032816 0.43
## 2102 MolWeight -0.0071031175 0.43
## 2103 NumMultBonds -0.0646492376 0.43
## 2104 NumRotBonds -0.0118190474 0.43
## 2105 NumCarbon -0.1200727172 0.43
## 2106 NumOxygen 0.1361853059 0.43
## 2107 NumSulfer -0.0900109434 0.43
## 2108 NumChlorine -0.2797318141 0.43
## 2109 HydrophilicFactor 0.0696293441 0.43
## 2110 SurfaceArea1 0.0053537512 0.43
## 2111 (Intercept) -0.3867786288 0.42
## 2112 FP011 0.1041491854 0.42
## 2113 FP039 -0.2038968875 0.42
## 2114 FP040 0.3254007084 0.42
## 2115 FP043 0.1685895852 0.42
## 2116 FP044 -0.5488024859 0.42
## 2117 FP050 -0.0038921250 0.42
## 2118 FP059 -0.5782751618 0.42
## 2119 FP063 0.2850948829 0.42
## 2120 FP072 0.4584343590 0.42
## 2121 FP073 0.0367867962 0.42
## 2122 FP074 0.1163292998 0.42
## 2123 FP084 0.0747062300 0.42
## 2124 FP094 -0.0567192259 0.42
## 2125 FP101 0.0396227725 0.42
## 2126 FP111 -0.1283600608 0.42
## 2127 FP124 0.0054472012 0.42
## 2128 FP135 0.2493512120 0.42
## 2129 FP142 0.3342292410 0.42
## 2130 FP147 0.0736102979 0.42
## 2131 FP172 -0.0404058364 0.42
## 2132 FP193 -0.0017617755 0.42
## 2133 FP204 -0.2214420681 0.42
## 2134 FP206 -0.2355032816 0.42
## 2135 MolWeight -0.0071031175 0.42
## 2136 NumMultBonds -0.0646492376 0.42
## 2137 NumRotBonds -0.0118190474 0.42
## 2138 NumCarbon -0.1200727172 0.42
## 2139 NumOxygen 0.1361853059 0.42
## 2140 NumSulfer -0.0900109434 0.42
## 2141 NumChlorine -0.2797318141 0.42
## 2142 HydrophilicFactor 0.0696293441 0.42
## 2143 SurfaceArea1 0.0053537512 0.42
## 2144 (Intercept) -0.3867786288 0.41
## 2145 FP011 0.1041491854 0.41
## 2146 FP039 -0.2038968875 0.41
## 2147 FP040 0.3254007084 0.41
## 2148 FP043 0.1685895852 0.41
## 2149 FP044 -0.5488024859 0.41
## 2150 FP050 -0.0038921250 0.41
## 2151 FP059 -0.5782751618 0.41
## 2152 FP063 0.2850948829 0.41
## 2153 FP072 0.4584343590 0.41
## 2154 FP073 0.0367867962 0.41
## 2155 FP074 0.1163292998 0.41
## 2156 FP084 0.0747062300 0.41
## 2157 FP094 -0.0567192259 0.41
## 2158 FP101 0.0396227725 0.41
## 2159 FP111 -0.1283600608 0.41
## 2160 FP124 0.0054472012 0.41
## 2161 FP135 0.2493512120 0.41
## 2162 FP142 0.3342292410 0.41
## 2163 FP147 0.0736102979 0.41
## 2164 FP172 -0.0404058364 0.41
## 2165 FP193 -0.0017617755 0.41
## 2166 FP204 -0.2214420681 0.41
## 2167 FP206 -0.2355032816 0.41
## 2168 MolWeight -0.0071031175 0.41
## 2169 NumMultBonds -0.0646492376 0.41
## 2170 NumRotBonds -0.0118190474 0.41
## 2171 NumCarbon -0.1200727172 0.41
## 2172 NumOxygen 0.1361853059 0.41
## 2173 NumSulfer -0.0900109434 0.41
## 2174 NumChlorine -0.2797318141 0.41
## 2175 HydrophilicFactor 0.0696293441 0.41
## 2176 SurfaceArea1 0.0053537512 0.41
## 2177 (Intercept) -0.3867786288 0.40
## 2178 FP011 0.1041491854 0.40
## 2179 FP039 -0.2038968875 0.40
## 2180 FP040 0.3254007084 0.40
## 2181 FP043 0.1685895852 0.40
## 2182 FP044 -0.5488024859 0.40
## 2183 FP050 -0.0038921250 0.40
## 2184 FP059 -0.5782751618 0.40
## 2185 FP063 0.2850948829 0.40
## 2186 FP072 0.4584343590 0.40
## 2187 FP073 0.0367867962 0.40
## 2188 FP074 0.1163292998 0.40
## 2189 FP084 0.0747062300 0.40
## 2190 FP094 -0.0567192259 0.40
## 2191 FP101 0.0396227725 0.40
## 2192 FP111 -0.1283600608 0.40
## 2193 FP124 0.0054472012 0.40
## 2194 FP135 0.2493512120 0.40
## 2195 FP142 0.3342292410 0.40
## 2196 FP147 0.0736102979 0.40
## 2197 FP172 -0.0404058364 0.40
## 2198 FP193 -0.0017617755 0.40
## 2199 FP204 -0.2214420681 0.40
## 2200 FP206 -0.2355032816 0.40
## 2201 MolWeight -0.0071031175 0.40
## 2202 NumMultBonds -0.0646492376 0.40
## 2203 NumRotBonds -0.0118190474 0.40
## 2204 NumCarbon -0.1200727172 0.40
## 2205 NumOxygen 0.1361853059 0.40
## 2206 NumSulfer -0.0900109434 0.40
## 2207 NumChlorine -0.2797318141 0.40
## 2208 HydrophilicFactor 0.0696293441 0.40
## 2209 SurfaceArea1 0.0053537512 0.40
## 2210 (Intercept) -0.3867786288 0.39
## 2211 FP011 0.1041491854 0.39
## 2212 FP039 -0.2038968875 0.39
## 2213 FP040 0.3254007084 0.39
## 2214 FP043 0.1685895852 0.39
## 2215 FP044 -0.5488024859 0.39
## 2216 FP050 -0.0038921250 0.39
## 2217 FP059 -0.5782751618 0.39
## 2218 FP063 0.2850948829 0.39
## 2219 FP072 0.4584343590 0.39
## 2220 FP073 0.0367867962 0.39
## 2221 FP074 0.1163292998 0.39
## 2222 FP084 0.0747062300 0.39
## 2223 FP094 -0.0567192259 0.39
## 2224 FP101 0.0396227725 0.39
## 2225 FP111 -0.1283600608 0.39
## 2226 FP124 0.0054472012 0.39
## 2227 FP135 0.2493512120 0.39
## 2228 FP142 0.3342292410 0.39
## 2229 FP147 0.0736102979 0.39
## 2230 FP172 -0.0404058364 0.39
## 2231 FP193 -0.0017617755 0.39
## 2232 FP204 -0.2214420681 0.39
## 2233 FP206 -0.2355032816 0.39
## 2234 MolWeight -0.0071031175 0.39
## 2235 NumMultBonds -0.0646492376 0.39
## 2236 NumRotBonds -0.0118190474 0.39
## 2237 NumCarbon -0.1200727172 0.39
## 2238 NumOxygen 0.1361853059 0.39
## 2239 NumSulfer -0.0900109434 0.39
## 2240 NumChlorine -0.2797318141 0.39
## 2241 HydrophilicFactor 0.0696293441 0.39
## 2242 SurfaceArea1 0.0053537512 0.39
## 2243 (Intercept) -0.3867786288 0.38
## 2244 FP011 0.1041491854 0.38
## 2245 FP039 -0.2038968875 0.38
## 2246 FP040 0.3254007084 0.38
## 2247 FP043 0.1685895852 0.38
## 2248 FP044 -0.5488024859 0.38
## 2249 FP050 -0.0038921250 0.38
## 2250 FP059 -0.5782751618 0.38
## 2251 FP063 0.2850948829 0.38
## 2252 FP072 0.4584343590 0.38
## 2253 FP073 0.0367867962 0.38
## 2254 FP074 0.1163292998 0.38
## 2255 FP084 0.0747062300 0.38
## 2256 FP094 -0.0567192259 0.38
## 2257 FP101 0.0396227725 0.38
## 2258 FP111 -0.1283600608 0.38
## 2259 FP124 0.0054472012 0.38
## 2260 FP135 0.2493512120 0.38
## 2261 FP142 0.3342292410 0.38
## 2262 FP147 0.0736102979 0.38
## 2263 FP172 -0.0404058364 0.38
## 2264 FP193 -0.0017617755 0.38
## 2265 FP204 -0.2214420681 0.38
## 2266 FP206 -0.2355032816 0.38
## 2267 MolWeight -0.0071031175 0.38
## 2268 NumMultBonds -0.0646492376 0.38
## 2269 NumRotBonds -0.0118190474 0.38
## 2270 NumCarbon -0.1200727172 0.38
## 2271 NumOxygen 0.1361853059 0.38
## 2272 NumSulfer -0.0900109434 0.38
## 2273 NumChlorine -0.2797318141 0.38
## 2274 HydrophilicFactor 0.0696293441 0.38
## 2275 SurfaceArea1 0.0053537512 0.38
## 2276 (Intercept) -0.3867786288 0.37
## 2277 FP011 0.1041491854 0.37
## 2278 FP039 -0.2038968875 0.37
## 2279 FP040 0.3254007084 0.37
## 2280 FP043 0.1685895852 0.37
## 2281 FP044 -0.5488024859 0.37
## 2282 FP050 -0.0038921250 0.37
## 2283 FP059 -0.5782751618 0.37
## 2284 FP063 0.2850948829 0.37
## 2285 FP072 0.4584343590 0.37
## 2286 FP073 0.0367867962 0.37
## 2287 FP074 0.1163292998 0.37
## 2288 FP084 0.0747062300 0.37
## 2289 FP094 -0.0567192259 0.37
## 2290 FP101 0.0396227725 0.37
## 2291 FP111 -0.1283600608 0.37
## 2292 FP124 0.0054472012 0.37
## 2293 FP135 0.2493512120 0.37
## 2294 FP142 0.3342292410 0.37
## 2295 FP147 0.0736102979 0.37
## 2296 FP172 -0.0404058364 0.37
## 2297 FP193 -0.0017617755 0.37
## 2298 FP204 -0.2214420681 0.37
## 2299 FP206 -0.2355032816 0.37
## 2300 MolWeight -0.0071031175 0.37
## 2301 NumMultBonds -0.0646492376 0.37
## 2302 NumRotBonds -0.0118190474 0.37
## 2303 NumCarbon -0.1200727172 0.37
## 2304 NumOxygen 0.1361853059 0.37
## 2305 NumSulfer -0.0900109434 0.37
## 2306 NumChlorine -0.2797318141 0.37
## 2307 HydrophilicFactor 0.0696293441 0.37
## 2308 SurfaceArea1 0.0053537512 0.37
## 2309 (Intercept) -0.3867786288 0.36
## 2310 FP011 0.1041491854 0.36
## 2311 FP039 -0.2038968875 0.36
## 2312 FP040 0.3254007084 0.36
## 2313 FP043 0.1685895852 0.36
## 2314 FP044 -0.5488024859 0.36
## 2315 FP050 -0.0038921250 0.36
## 2316 FP059 -0.5782751618 0.36
## 2317 FP063 0.2850948829 0.36
## 2318 FP072 0.4584343590 0.36
## 2319 FP073 0.0367867962 0.36
## 2320 FP074 0.1163292998 0.36
## 2321 FP084 0.0747062300 0.36
## 2322 FP094 -0.0567192259 0.36
## 2323 FP101 0.0396227725 0.36
## 2324 FP111 -0.1283600608 0.36
## 2325 FP124 0.0054472012 0.36
## 2326 FP135 0.2493512120 0.36
## 2327 FP142 0.3342292410 0.36
## 2328 FP147 0.0736102979 0.36
## 2329 FP172 -0.0404058364 0.36
## 2330 FP193 -0.0017617755 0.36
## 2331 FP204 -0.2214420681 0.36
## 2332 FP206 -0.2355032816 0.36
## 2333 MolWeight -0.0071031175 0.36
## 2334 NumMultBonds -0.0646492376 0.36
## 2335 NumRotBonds -0.0118190474 0.36
## 2336 NumCarbon -0.1200727172 0.36
## 2337 NumOxygen 0.1361853059 0.36
## 2338 NumSulfer -0.0900109434 0.36
## 2339 NumChlorine -0.2797318141 0.36
## 2340 HydrophilicFactor 0.0696293441 0.36
## 2341 SurfaceArea1 0.0053537512 0.36
## 2342 (Intercept) -0.3867786288 0.35
## 2343 FP011 0.1041491854 0.35
## 2344 FP039 -0.2038968875 0.35
## 2345 FP040 0.3254007084 0.35
## 2346 FP043 0.1685895852 0.35
## 2347 FP044 -0.5488024859 0.35
## 2348 FP050 -0.0038921250 0.35
## 2349 FP059 -0.5782751618 0.35
## 2350 FP063 0.2850948829 0.35
## 2351 FP072 0.4584343590 0.35
## 2352 FP073 0.0367867962 0.35
## 2353 FP074 0.1163292998 0.35
## 2354 FP084 0.0747062300 0.35
## 2355 FP094 -0.0567192259 0.35
## 2356 FP101 0.0396227725 0.35
## 2357 FP111 -0.1283600608 0.35
## 2358 FP124 0.0054472012 0.35
## 2359 FP135 0.2493512120 0.35
## 2360 FP142 0.3342292410 0.35
## 2361 FP147 0.0736102979 0.35
## 2362 FP172 -0.0404058364 0.35
## 2363 FP193 -0.0017617755 0.35
## 2364 FP204 -0.2214420681 0.35
## 2365 FP206 -0.2355032816 0.35
## 2366 MolWeight -0.0071031175 0.35
## 2367 NumMultBonds -0.0646492376 0.35
## 2368 NumRotBonds -0.0118190474 0.35
## 2369 NumCarbon -0.1200727172 0.35
## 2370 NumOxygen 0.1361853059 0.35
## 2371 NumSulfer -0.0900109434 0.35
## 2372 NumChlorine -0.2797318141 0.35
## 2373 HydrophilicFactor 0.0696293441 0.35
## 2374 SurfaceArea1 0.0053537512 0.35
## 2375 (Intercept) -0.3867786288 0.34
## 2376 FP011 0.1041491854 0.34
## 2377 FP039 -0.2038968875 0.34
## 2378 FP040 0.3254007084 0.34
## 2379 FP043 0.1685895852 0.34
## 2380 FP044 -0.5488024859 0.34
## 2381 FP050 -0.0038921250 0.34
## 2382 FP059 -0.5782751618 0.34
## 2383 FP063 0.2850948829 0.34
## 2384 FP072 0.4584343590 0.34
## 2385 FP073 0.0367867962 0.34
## 2386 FP074 0.1163292998 0.34
## 2387 FP084 0.0747062300 0.34
## 2388 FP094 -0.0567192259 0.34
## 2389 FP101 0.0396227725 0.34
## 2390 FP111 -0.1283600608 0.34
## 2391 FP124 0.0054472012 0.34
## 2392 FP135 0.2493512120 0.34
## 2393 FP142 0.3342292410 0.34
## 2394 FP147 0.0736102979 0.34
## 2395 FP172 -0.0404058364 0.34
## 2396 FP193 -0.0017617755 0.34
## 2397 FP204 -0.2214420681 0.34
## 2398 FP206 -0.2355032816 0.34
## 2399 MolWeight -0.0071031175 0.34
## 2400 NumMultBonds -0.0646492376 0.34
## 2401 NumRotBonds -0.0118190474 0.34
## 2402 NumCarbon -0.1200727172 0.34
## 2403 NumOxygen 0.1361853059 0.34
## 2404 NumSulfer -0.0900109434 0.34
## 2405 NumChlorine -0.2797318141 0.34
## 2406 HydrophilicFactor 0.0696293441 0.34
## 2407 SurfaceArea1 0.0053537512 0.34
## 2408 (Intercept) -0.3867786288 0.33
## 2409 FP011 0.1041491854 0.33
## 2410 FP039 -0.2038968875 0.33
## 2411 FP040 0.3254007084 0.33
## 2412 FP043 0.1685895852 0.33
## 2413 FP044 -0.5488024859 0.33
## 2414 FP050 -0.0038921250 0.33
## 2415 FP059 -0.5782751618 0.33
## 2416 FP063 0.2850948829 0.33
## 2417 FP072 0.4584343590 0.33
## 2418 FP073 0.0367867962 0.33
## 2419 FP074 0.1163292998 0.33
## 2420 FP084 0.0747062300 0.33
## 2421 FP094 -0.0567192259 0.33
## 2422 FP101 0.0396227725 0.33
## 2423 FP111 -0.1283600608 0.33
## 2424 FP124 0.0054472012 0.33
## 2425 FP135 0.2493512120 0.33
## 2426 FP142 0.3342292410 0.33
## 2427 FP147 0.0736102979 0.33
## 2428 FP172 -0.0404058364 0.33
## 2429 FP193 -0.0017617755 0.33
## 2430 FP204 -0.2214420681 0.33
## 2431 FP206 -0.2355032816 0.33
## 2432 MolWeight -0.0071031175 0.33
## 2433 NumMultBonds -0.0646492376 0.33
## 2434 NumRotBonds -0.0118190474 0.33
## 2435 NumCarbon -0.1200727172 0.33
## 2436 NumOxygen 0.1361853059 0.33
## 2437 NumSulfer -0.0900109434 0.33
## 2438 NumChlorine -0.2797318141 0.33
## 2439 HydrophilicFactor 0.0696293441 0.33
## 2440 SurfaceArea1 0.0053537512 0.33
## 2441 (Intercept) -0.3867786288 0.32
## 2442 FP011 0.1041491854 0.32
## 2443 FP039 -0.2038968875 0.32
## 2444 FP040 0.3254007084 0.32
## 2445 FP043 0.1685895852 0.32
## 2446 FP044 -0.5488024859 0.32
## 2447 FP050 -0.0038921250 0.32
## 2448 FP059 -0.5782751618 0.32
## 2449 FP063 0.2850948829 0.32
## 2450 FP072 0.4584343590 0.32
## 2451 FP073 0.0367867962 0.32
## 2452 FP074 0.1163292998 0.32
## 2453 FP084 0.0747062300 0.32
## 2454 FP094 -0.0567192259 0.32
## 2455 FP101 0.0396227725 0.32
## 2456 FP111 -0.1283600608 0.32
## 2457 FP124 0.0054472012 0.32
## 2458 FP135 0.2493512120 0.32
## 2459 FP142 0.3342292410 0.32
## 2460 FP147 0.0736102979 0.32
## 2461 FP172 -0.0404058364 0.32
## 2462 FP193 -0.0017617755 0.32
## 2463 FP204 -0.2214420681 0.32
## 2464 FP206 -0.2355032816 0.32
## 2465 MolWeight -0.0071031175 0.32
## 2466 NumMultBonds -0.0646492376 0.32
## 2467 NumRotBonds -0.0118190474 0.32
## 2468 NumCarbon -0.1200727172 0.32
## 2469 NumOxygen 0.1361853059 0.32
## 2470 NumSulfer -0.0900109434 0.32
## 2471 NumChlorine -0.2797318141 0.32
## 2472 HydrophilicFactor 0.0696293441 0.32
## 2473 SurfaceArea1 0.0053537512 0.32
## 2474 (Intercept) -0.3867786288 0.31
## 2475 FP011 0.1041491854 0.31
## 2476 FP039 -0.2038968875 0.31
## 2477 FP040 0.3254007084 0.31
## 2478 FP043 0.1685895852 0.31
## 2479 FP044 -0.5488024859 0.31
## 2480 FP050 -0.0038921250 0.31
## 2481 FP059 -0.5782751618 0.31
## 2482 FP063 0.2850948829 0.31
## 2483 FP072 0.4584343590 0.31
## 2484 FP073 0.0367867962 0.31
## 2485 FP074 0.1163292998 0.31
## 2486 FP084 0.0747062300 0.31
## 2487 FP094 -0.0567192259 0.31
## 2488 FP101 0.0396227725 0.31
## 2489 FP111 -0.1283600608 0.31
## 2490 FP124 0.0054472012 0.31
## 2491 FP135 0.2493512120 0.31
## 2492 FP142 0.3342292410 0.31
## 2493 FP147 0.0736102979 0.31
## 2494 FP172 -0.0404058364 0.31
## 2495 FP193 -0.0017617755 0.31
## 2496 FP204 -0.2214420681 0.31
## 2497 FP206 -0.2355032816 0.31
## 2498 MolWeight -0.0071031175 0.31
## 2499 NumMultBonds -0.0646492376 0.31
## 2500 NumRotBonds -0.0118190474 0.31
## 2501 NumCarbon -0.1200727172 0.31
## 2502 NumOxygen 0.1361853059 0.31
## 2503 NumSulfer -0.0900109434 0.31
## 2504 NumChlorine -0.2797318141 0.31
## 2505 HydrophilicFactor 0.0696293441 0.31
## 2506 SurfaceArea1 0.0053537512 0.31
## 2507 (Intercept) -0.3867786288 0.30
## 2508 FP011 0.1041491854 0.30
## 2509 FP039 -0.2038968875 0.30
## 2510 FP040 0.3254007084 0.30
## 2511 FP043 0.1685895852 0.30
## 2512 FP044 -0.5488024859 0.30
## 2513 FP050 -0.0038921250 0.30
## 2514 FP059 -0.5782751618 0.30
## 2515 FP063 0.2850948829 0.30
## 2516 FP072 0.4584343590 0.30
## 2517 FP073 0.0367867962 0.30
## 2518 FP074 0.1163292998 0.30
## 2519 FP084 0.0747062300 0.30
## 2520 FP094 -0.0567192259 0.30
## 2521 FP101 0.0396227725 0.30
## 2522 FP111 -0.1283600608 0.30
## 2523 FP124 0.0054472012 0.30
## 2524 FP135 0.2493512120 0.30
## 2525 FP142 0.3342292410 0.30
## 2526 FP147 0.0736102979 0.30
## 2527 FP172 -0.0404058364 0.30
## 2528 FP193 -0.0017617755 0.30
## 2529 FP204 -0.2214420681 0.30
## 2530 FP206 -0.2355032816 0.30
## 2531 MolWeight -0.0071031175 0.30
## 2532 NumMultBonds -0.0646492376 0.30
## 2533 NumRotBonds -0.0118190474 0.30
## 2534 NumCarbon -0.1200727172 0.30
## 2535 NumOxygen 0.1361853059 0.30
## 2536 NumSulfer -0.0900109434 0.30
## 2537 NumChlorine -0.2797318141 0.30
## 2538 HydrophilicFactor 0.0696293441 0.30
## 2539 SurfaceArea1 0.0053537512 0.30
## 2540 (Intercept) -0.3867786288 0.29
## 2541 FP011 0.1041491854 0.29
## 2542 FP039 -0.2038968875 0.29
## 2543 FP040 0.3254007084 0.29
## 2544 FP043 0.1685895852 0.29
## 2545 FP044 -0.5488024859 0.29
## 2546 FP050 -0.0038921250 0.29
## 2547 FP059 -0.5782751618 0.29
## 2548 FP063 0.2850948829 0.29
## 2549 FP072 0.4584343590 0.29
## 2550 FP073 0.0367867962 0.29
## 2551 FP074 0.1163292998 0.29
## 2552 FP084 0.0747062300 0.29
## 2553 FP094 -0.0567192259 0.29
## 2554 FP101 0.0396227725 0.29
## 2555 FP111 -0.1283600608 0.29
## 2556 FP124 0.0054472012 0.29
## 2557 FP135 0.2493512120 0.29
## 2558 FP142 0.3342292410 0.29
## 2559 FP147 0.0736102979 0.29
## 2560 FP172 -0.0404058364 0.29
## 2561 FP193 -0.0017617755 0.29
## 2562 FP204 -0.2214420681 0.29
## 2563 FP206 -0.2355032816 0.29
## 2564 MolWeight -0.0071031175 0.29
## 2565 NumMultBonds -0.0646492376 0.29
## 2566 NumRotBonds -0.0118190474 0.29
## 2567 NumCarbon -0.1200727172 0.29
## 2568 NumOxygen 0.1361853059 0.29
## 2569 NumSulfer -0.0900109434 0.29
## 2570 NumChlorine -0.2797318141 0.29
## 2571 HydrophilicFactor 0.0696293441 0.29
## 2572 SurfaceArea1 0.0053537512 0.29
## 2573 (Intercept) -0.3867786288 0.28
## 2574 FP011 0.1041491854 0.28
## 2575 FP039 -0.2038968875 0.28
## 2576 FP040 0.3254007084 0.28
## 2577 FP043 0.1685895852 0.28
## 2578 FP044 -0.5488024859 0.28
## 2579 FP050 -0.0038921250 0.28
## 2580 FP059 -0.5782751618 0.28
## 2581 FP063 0.2850948829 0.28
## 2582 FP072 0.4584343590 0.28
## 2583 FP073 0.0367867962 0.28
## 2584 FP074 0.1163292998 0.28
## 2585 FP084 0.0747062300 0.28
## 2586 FP094 -0.0567192259 0.28
## 2587 FP101 0.0396227725 0.28
## 2588 FP111 -0.1283600608 0.28
## 2589 FP124 0.0054472012 0.28
## 2590 FP135 0.2493512120 0.28
## 2591 FP142 0.3342292410 0.28
## 2592 FP147 0.0736102979 0.28
## 2593 FP172 -0.0404058364 0.28
## 2594 FP193 -0.0017617755 0.28
## 2595 FP204 -0.2214420681 0.28
## 2596 FP206 -0.2355032816 0.28
## 2597 MolWeight -0.0071031175 0.28
## 2598 NumMultBonds -0.0646492376 0.28
## 2599 NumRotBonds -0.0118190474 0.28
## 2600 NumCarbon -0.1200727172 0.28
## 2601 NumOxygen 0.1361853059 0.28
## 2602 NumSulfer -0.0900109434 0.28
## 2603 NumChlorine -0.2797318141 0.28
## 2604 HydrophilicFactor 0.0696293441 0.28
## 2605 SurfaceArea1 0.0053537512 0.28
## 2606 (Intercept) -0.3867786288 0.27
## 2607 FP011 0.1041491854 0.27
## 2608 FP039 -0.2038968875 0.27
## 2609 FP040 0.3254007084 0.27
## 2610 FP043 0.1685895852 0.27
## 2611 FP044 -0.5488024859 0.27
## 2612 FP050 -0.0038921250 0.27
## 2613 FP059 -0.5782751618 0.27
## 2614 FP063 0.2850948829 0.27
## 2615 FP072 0.4584343590 0.27
## 2616 FP073 0.0367867962 0.27
## 2617 FP074 0.1163292998 0.27
## 2618 FP084 0.0747062300 0.27
## 2619 FP094 -0.0567192259 0.27
## 2620 FP101 0.0396227725 0.27
## 2621 FP111 -0.1283600608 0.27
## 2622 FP124 0.0054472012 0.27
## 2623 FP135 0.2493512120 0.27
## 2624 FP142 0.3342292410 0.27
## 2625 FP147 0.0736102979 0.27
## 2626 FP172 -0.0404058364 0.27
## 2627 FP193 -0.0017617755 0.27
## 2628 FP204 -0.2214420681 0.27
## 2629 FP206 -0.2355032816 0.27
## 2630 MolWeight -0.0071031175 0.27
## 2631 NumMultBonds -0.0646492376 0.27
## 2632 NumRotBonds -0.0118190474 0.27
## 2633 NumCarbon -0.1200727172 0.27
## 2634 NumOxygen 0.1361853059 0.27
## 2635 NumSulfer -0.0900109434 0.27
## 2636 NumChlorine -0.2797318141 0.27
## 2637 HydrophilicFactor 0.0696293441 0.27
## 2638 SurfaceArea1 0.0053537512 0.27
## 2639 (Intercept) -0.3867786288 0.26
## 2640 FP011 0.1041491854 0.26
## 2641 FP039 -0.2038968875 0.26
## 2642 FP040 0.3254007084 0.26
## 2643 FP043 0.1685895852 0.26
## 2644 FP044 -0.5488024859 0.26
## 2645 FP050 -0.0038921250 0.26
## 2646 FP059 -0.5782751618 0.26
## 2647 FP063 0.2850948829 0.26
## 2648 FP072 0.4584343590 0.26
## 2649 FP073 0.0367867962 0.26
## 2650 FP074 0.1163292998 0.26
## 2651 FP084 0.0747062300 0.26
## 2652 FP094 -0.0567192259 0.26
## 2653 FP101 0.0396227725 0.26
## 2654 FP111 -0.1283600608 0.26
## 2655 FP124 0.0054472012 0.26
## 2656 FP135 0.2493512120 0.26
## 2657 FP142 0.3342292410 0.26
## 2658 FP147 0.0736102979 0.26
## 2659 FP172 -0.0404058364 0.26
## 2660 FP193 -0.0017617755 0.26
## 2661 FP204 -0.2214420681 0.26
## 2662 FP206 -0.2355032816 0.26
## 2663 MolWeight -0.0071031175 0.26
## 2664 NumMultBonds -0.0646492376 0.26
## 2665 NumRotBonds -0.0118190474 0.26
## 2666 NumCarbon -0.1200727172 0.26
## 2667 NumOxygen 0.1361853059 0.26
## 2668 NumSulfer -0.0900109434 0.26
## 2669 NumChlorine -0.2797318141 0.26
## 2670 HydrophilicFactor 0.0696293441 0.26
## 2671 SurfaceArea1 0.0053537512 0.26
## 2672 (Intercept) -0.3867786288 0.25
## 2673 FP011 0.1041491854 0.25
## 2674 FP039 -0.2038968875 0.25
## 2675 FP040 0.3254007084 0.25
## 2676 FP043 0.1685895852 0.25
## 2677 FP044 -0.5488024859 0.25
## 2678 FP050 -0.0038921250 0.25
## 2679 FP059 -0.5782751618 0.25
## 2680 FP063 0.2850948829 0.25
## 2681 FP072 0.4584343590 0.25
## 2682 FP073 0.0367867962 0.25
## 2683 FP074 0.1163292998 0.25
## 2684 FP084 0.0747062300 0.25
## 2685 FP094 -0.0567192259 0.25
## 2686 FP101 0.0396227725 0.25
## 2687 FP111 -0.1283600608 0.25
## 2688 FP124 0.0054472012 0.25
## 2689 FP135 0.2493512120 0.25
## 2690 FP142 0.3342292410 0.25
## 2691 FP147 0.0736102979 0.25
## 2692 FP172 -0.0404058364 0.25
## 2693 FP193 -0.0017617755 0.25
## 2694 FP204 -0.2214420681 0.25
## 2695 FP206 -0.2355032816 0.25
## 2696 MolWeight -0.0071031175 0.25
## 2697 NumMultBonds -0.0646492376 0.25
## 2698 NumRotBonds -0.0118190474 0.25
## 2699 NumCarbon -0.1200727172 0.25
## 2700 NumOxygen 0.1361853059 0.25
## 2701 NumSulfer -0.0900109434 0.25
## 2702 NumChlorine -0.2797318141 0.25
## 2703 HydrophilicFactor 0.0696293441 0.25
## 2704 SurfaceArea1 0.0053537512 0.25
## 2705 (Intercept) -0.3867786288 0.24
## 2706 FP011 0.1041491854 0.24
## 2707 FP039 -0.2038968875 0.24
## 2708 FP040 0.3254007084 0.24
## 2709 FP043 0.1685895852 0.24
## 2710 FP044 -0.5488024859 0.24
## 2711 FP050 -0.0038921250 0.24
## 2712 FP059 -0.5782751618 0.24
## 2713 FP063 0.2850948829 0.24
## 2714 FP072 0.4584343590 0.24
## 2715 FP073 0.0367867962 0.24
## 2716 FP074 0.1163292998 0.24
## 2717 FP084 0.0747062300 0.24
## 2718 FP094 -0.0567192259 0.24
## 2719 FP101 0.0396227725 0.24
## 2720 FP111 -0.1283600608 0.24
## 2721 FP124 0.0054472012 0.24
## 2722 FP135 0.2493512120 0.24
## 2723 FP142 0.3342292410 0.24
## 2724 FP147 0.0736102979 0.24
## 2725 FP172 -0.0404058364 0.24
## 2726 FP193 -0.0017617755 0.24
## 2727 FP204 -0.2214420681 0.24
## 2728 FP206 -0.2355032816 0.24
## 2729 MolWeight -0.0071031175 0.24
## 2730 NumMultBonds -0.0646492376 0.24
## 2731 NumRotBonds -0.0118190474 0.24
## 2732 NumCarbon -0.1200727172 0.24
## 2733 NumOxygen 0.1361853059 0.24
## 2734 NumSulfer -0.0900109434 0.24
## 2735 NumChlorine -0.2797318141 0.24
## 2736 HydrophilicFactor 0.0696293441 0.24
## 2737 SurfaceArea1 0.0053537512 0.24
## 2738 (Intercept) -0.3867786288 0.23
## 2739 FP011 0.1041491854 0.23
## 2740 FP039 -0.2038968875 0.23
## 2741 FP040 0.3254007084 0.23
## 2742 FP043 0.1685895852 0.23
## 2743 FP044 -0.5488024859 0.23
## 2744 FP050 -0.0038921250 0.23
## 2745 FP059 -0.5782751618 0.23
## 2746 FP063 0.2850948829 0.23
## 2747 FP072 0.4584343590 0.23
## 2748 FP073 0.0367867962 0.23
## 2749 FP074 0.1163292998 0.23
## 2750 FP084 0.0747062300 0.23
## 2751 FP094 -0.0567192259 0.23
## 2752 FP101 0.0396227725 0.23
## 2753 FP111 -0.1283600608 0.23
## 2754 FP124 0.0054472012 0.23
## 2755 FP135 0.2493512120 0.23
## 2756 FP142 0.3342292410 0.23
## 2757 FP147 0.0736102979 0.23
## 2758 FP172 -0.0404058364 0.23
## 2759 FP193 -0.0017617755 0.23
## 2760 FP204 -0.2214420681 0.23
## 2761 FP206 -0.2355032816 0.23
## 2762 MolWeight -0.0071031175 0.23
## 2763 NumMultBonds -0.0646492376 0.23
## 2764 NumRotBonds -0.0118190474 0.23
## 2765 NumCarbon -0.1200727172 0.23
## 2766 NumOxygen 0.1361853059 0.23
## 2767 NumSulfer -0.0900109434 0.23
## 2768 NumChlorine -0.2797318141 0.23
## 2769 HydrophilicFactor 0.0696293441 0.23
## 2770 SurfaceArea1 0.0053537512 0.23
## 2771 (Intercept) -0.3867786288 0.22
## 2772 FP011 0.1041491854 0.22
## 2773 FP039 -0.2038968875 0.22
## 2774 FP040 0.3254007084 0.22
## 2775 FP043 0.1685895852 0.22
## 2776 FP044 -0.5488024859 0.22
## 2777 FP050 -0.0038921250 0.22
## 2778 FP059 -0.5782751618 0.22
## 2779 FP063 0.2850948829 0.22
## 2780 FP072 0.4584343590 0.22
## 2781 FP073 0.0367867962 0.22
## 2782 FP074 0.1163292998 0.22
## 2783 FP084 0.0747062300 0.22
## 2784 FP094 -0.0567192259 0.22
## 2785 FP101 0.0396227725 0.22
## 2786 FP111 -0.1283600608 0.22
## 2787 FP124 0.0054472012 0.22
## 2788 FP135 0.2493512120 0.22
## 2789 FP142 0.3342292410 0.22
## 2790 FP147 0.0736102979 0.22
## 2791 FP172 -0.0404058364 0.22
## 2792 FP193 -0.0017617755 0.22
## 2793 FP204 -0.2214420681 0.22
## 2794 FP206 -0.2355032816 0.22
## 2795 MolWeight -0.0071031175 0.22
## 2796 NumMultBonds -0.0646492376 0.22
## 2797 NumRotBonds -0.0118190474 0.22
## 2798 NumCarbon -0.1200727172 0.22
## 2799 NumOxygen 0.1361853059 0.22
## 2800 NumSulfer -0.0900109434 0.22
## 2801 NumChlorine -0.2797318141 0.22
## 2802 HydrophilicFactor 0.0696293441 0.22
## 2803 SurfaceArea1 0.0053537512 0.22
## 2804 (Intercept) -0.3867786288 0.21
## 2805 FP011 0.1041491854 0.21
## 2806 FP039 -0.2038968875 0.21
## 2807 FP040 0.3254007084 0.21
## 2808 FP043 0.1685895852 0.21
## 2809 FP044 -0.5488024859 0.21
## 2810 FP050 -0.0038921250 0.21
## 2811 FP059 -0.5782751618 0.21
## 2812 FP063 0.2850948829 0.21
## 2813 FP072 0.4584343590 0.21
## 2814 FP073 0.0367867962 0.21
## 2815 FP074 0.1163292998 0.21
## 2816 FP084 0.0747062300 0.21
## 2817 FP094 -0.0567192259 0.21
## 2818 FP101 0.0396227725 0.21
## 2819 FP111 -0.1283600608 0.21
## 2820 FP124 0.0054472012 0.21
## 2821 FP135 0.2493512120 0.21
## 2822 FP142 0.3342292410 0.21
## 2823 FP147 0.0736102979 0.21
## 2824 FP172 -0.0404058364 0.21
## 2825 FP193 -0.0017617755 0.21
## 2826 FP204 -0.2214420681 0.21
## 2827 FP206 -0.2355032816 0.21
## 2828 MolWeight -0.0071031175 0.21
## 2829 NumMultBonds -0.0646492376 0.21
## 2830 NumRotBonds -0.0118190474 0.21
## 2831 NumCarbon -0.1200727172 0.21
## 2832 NumOxygen 0.1361853059 0.21
## 2833 NumSulfer -0.0900109434 0.21
## 2834 NumChlorine -0.2797318141 0.21
## 2835 HydrophilicFactor 0.0696293441 0.21
## 2836 SurfaceArea1 0.0053537512 0.21
## 2837 (Intercept) -0.3867786288 0.20
## 2838 FP011 0.1041491854 0.20
## 2839 FP039 -0.2038968875 0.20
## 2840 FP040 0.3254007084 0.20
## 2841 FP043 0.1685895852 0.20
## 2842 FP044 -0.5488024859 0.20
## 2843 FP050 -0.0038921250 0.20
## 2844 FP059 -0.5782751618 0.20
## 2845 FP063 0.2850948829 0.20
## 2846 FP072 0.4584343590 0.20
## 2847 FP073 0.0367867962 0.20
## 2848 FP074 0.1163292998 0.20
## 2849 FP084 0.0747062300 0.20
## 2850 FP094 -0.0567192259 0.20
## 2851 FP101 0.0396227725 0.20
## 2852 FP111 -0.1283600608 0.20
## 2853 FP124 0.0054472012 0.20
## 2854 FP135 0.2493512120 0.20
## 2855 FP142 0.3342292410 0.20
## 2856 FP147 0.0736102979 0.20
## 2857 FP172 -0.0404058364 0.20
## 2858 FP193 -0.0017617755 0.20
## 2859 FP204 -0.2214420681 0.20
## 2860 FP206 -0.2355032816 0.20
## 2861 MolWeight -0.0071031175 0.20
## 2862 NumMultBonds -0.0646492376 0.20
## 2863 NumRotBonds -0.0118190474 0.20
## 2864 NumCarbon -0.1200727172 0.20
## 2865 NumOxygen 0.1361853059 0.20
## 2866 NumSulfer -0.0900109434 0.20
## 2867 NumChlorine -0.2797318141 0.20
## 2868 HydrophilicFactor 0.0696293441 0.20
## 2869 SurfaceArea1 0.0053537512 0.20
## 2870 (Intercept) -0.3867786288 0.19
## 2871 FP011 0.1041491854 0.19
## 2872 FP039 -0.2038968875 0.19
## 2873 FP040 0.3254007084 0.19
## 2874 FP043 0.1685895852 0.19
## 2875 FP044 -0.5488024859 0.19
## 2876 FP050 -0.0038921250 0.19
## 2877 FP059 -0.5782751618 0.19
## 2878 FP063 0.2850948829 0.19
## 2879 FP072 0.4584343590 0.19
## 2880 FP073 0.0367867962 0.19
## 2881 FP074 0.1163292998 0.19
## 2882 FP084 0.0747062300 0.19
## 2883 FP094 -0.0567192259 0.19
## 2884 FP101 0.0396227725 0.19
## 2885 FP111 -0.1283600608 0.19
## 2886 FP124 0.0054472012 0.19
## 2887 FP135 0.2493512120 0.19
## 2888 FP142 0.3342292410 0.19
## 2889 FP147 0.0736102979 0.19
## 2890 FP172 -0.0404058364 0.19
## 2891 FP193 -0.0017617755 0.19
## 2892 FP204 -0.2214420681 0.19
## 2893 FP206 -0.2355032816 0.19
## 2894 MolWeight -0.0071031175 0.19
## 2895 NumMultBonds -0.0646492376 0.19
## 2896 NumRotBonds -0.0118190474 0.19
## 2897 NumCarbon -0.1200727172 0.19
## 2898 NumOxygen 0.1361853059 0.19
## 2899 NumSulfer -0.0900109434 0.19
## 2900 NumChlorine -0.2797318141 0.19
## 2901 HydrophilicFactor 0.0696293441 0.19
## 2902 SurfaceArea1 0.0053537512 0.19
## 2903 (Intercept) -0.3867786288 0.18
## 2904 FP011 0.1041491854 0.18
## 2905 FP039 -0.2038968875 0.18
## 2906 FP040 0.3254007084 0.18
## 2907 FP043 0.1685895852 0.18
## 2908 FP044 -0.5488024859 0.18
## 2909 FP050 -0.0038921250 0.18
## 2910 FP059 -0.5782751618 0.18
## 2911 FP063 0.2850948829 0.18
## 2912 FP072 0.4584343590 0.18
## 2913 FP073 0.0367867962 0.18
## 2914 FP074 0.1163292998 0.18
## 2915 FP084 0.0747062300 0.18
## 2916 FP094 -0.0567192259 0.18
## 2917 FP101 0.0396227725 0.18
## 2918 FP111 -0.1283600608 0.18
## 2919 FP124 0.0054472012 0.18
## 2920 FP135 0.2493512120 0.18
## 2921 FP142 0.3342292410 0.18
## 2922 FP147 0.0736102979 0.18
## 2923 FP172 -0.0404058364 0.18
## 2924 FP193 -0.0017617755 0.18
## 2925 FP204 -0.2214420681 0.18
## 2926 FP206 -0.2355032816 0.18
## 2927 MolWeight -0.0071031175 0.18
## 2928 NumMultBonds -0.0646492376 0.18
## 2929 NumRotBonds -0.0118190474 0.18
## 2930 NumCarbon -0.1200727172 0.18
## 2931 NumOxygen 0.1361853059 0.18
## 2932 NumSulfer -0.0900109434 0.18
## 2933 NumChlorine -0.2797318141 0.18
## 2934 HydrophilicFactor 0.0696293441 0.18
## 2935 SurfaceArea1 0.0053537512 0.18
## 2936 (Intercept) -0.3867786288 0.17
## 2937 FP011 0.1041491854 0.17
## 2938 FP039 -0.2038968875 0.17
## 2939 FP040 0.3254007084 0.17
## 2940 FP043 0.1685895852 0.17
## 2941 FP044 -0.5488024859 0.17
## 2942 FP050 -0.0038921250 0.17
## 2943 FP059 -0.5782751618 0.17
## 2944 FP063 0.2850948829 0.17
## 2945 FP072 0.4584343590 0.17
## 2946 FP073 0.0367867962 0.17
## 2947 FP074 0.1163292998 0.17
## 2948 FP084 0.0747062300 0.17
## 2949 FP094 -0.0567192259 0.17
## 2950 FP101 0.0396227725 0.17
## 2951 FP111 -0.1283600608 0.17
## 2952 FP124 0.0054472012 0.17
## 2953 FP135 0.2493512120 0.17
## 2954 FP142 0.3342292410 0.17
## 2955 FP147 0.0736102979 0.17
## 2956 FP172 -0.0404058364 0.17
## 2957 FP193 -0.0017617755 0.17
## 2958 FP204 -0.2214420681 0.17
## 2959 FP206 -0.2355032816 0.17
## 2960 MolWeight -0.0071031175 0.17
## 2961 NumMultBonds -0.0646492376 0.17
## 2962 NumRotBonds -0.0118190474 0.17
## 2963 NumCarbon -0.1200727172 0.17
## 2964 NumOxygen 0.1361853059 0.17
## 2965 NumSulfer -0.0900109434 0.17
## 2966 NumChlorine -0.2797318141 0.17
## 2967 HydrophilicFactor 0.0696293441 0.17
## 2968 SurfaceArea1 0.0053537512 0.17
## 2969 (Intercept) -0.3867786288 0.16
## 2970 FP011 0.1041491854 0.16
## 2971 FP039 -0.2038968875 0.16
## 2972 FP040 0.3254007084 0.16
## 2973 FP043 0.1685895852 0.16
## 2974 FP044 -0.5488024859 0.16
## 2975 FP050 -0.0038921250 0.16
## 2976 FP059 -0.5782751618 0.16
## 2977 FP063 0.2850948829 0.16
## 2978 FP072 0.4584343590 0.16
## 2979 FP073 0.0367867962 0.16
## 2980 FP074 0.1163292998 0.16
## 2981 FP084 0.0747062300 0.16
## 2982 FP094 -0.0567192259 0.16
## 2983 FP101 0.0396227725 0.16
## 2984 FP111 -0.1283600608 0.16
## 2985 FP124 0.0054472012 0.16
## 2986 FP135 0.2493512120 0.16
## 2987 FP142 0.3342292410 0.16
## 2988 FP147 0.0736102979 0.16
## 2989 FP172 -0.0404058364 0.16
## 2990 FP193 -0.0017617755 0.16
## 2991 FP204 -0.2214420681 0.16
## 2992 FP206 -0.2355032816 0.16
## 2993 MolWeight -0.0071031175 0.16
## 2994 NumMultBonds -0.0646492376 0.16
## 2995 NumRotBonds -0.0118190474 0.16
## 2996 NumCarbon -0.1200727172 0.16
## 2997 NumOxygen 0.1361853059 0.16
## 2998 NumSulfer -0.0900109434 0.16
## 2999 NumChlorine -0.2797318141 0.16
## 3000 HydrophilicFactor 0.0696293441 0.16
## 3001 SurfaceArea1 0.0053537512 0.16
## 3002 (Intercept) -0.3867786288 0.15
## 3003 FP011 0.1041491854 0.15
## 3004 FP039 -0.2038968875 0.15
## 3005 FP040 0.3254007084 0.15
## 3006 FP043 0.1685895852 0.15
## 3007 FP044 -0.5488024859 0.15
## 3008 FP050 -0.0038921250 0.15
## 3009 FP059 -0.5782751618 0.15
## 3010 FP063 0.2850948829 0.15
## 3011 FP072 0.4584343590 0.15
## 3012 FP073 0.0367867962 0.15
## 3013 FP074 0.1163292998 0.15
## 3014 FP084 0.0747062300 0.15
## 3015 FP094 -0.0567192259 0.15
## 3016 FP101 0.0396227725 0.15
## 3017 FP111 -0.1283600608 0.15
## 3018 FP124 0.0054472012 0.15
## 3019 FP135 0.2493512120 0.15
## 3020 FP142 0.3342292410 0.15
## 3021 FP147 0.0736102979 0.15
## 3022 FP172 -0.0404058364 0.15
## 3023 FP193 -0.0017617755 0.15
## 3024 FP204 -0.2214420681 0.15
## 3025 FP206 -0.2355032816 0.15
## 3026 MolWeight -0.0071031175 0.15
## 3027 NumMultBonds -0.0646492376 0.15
## 3028 NumRotBonds -0.0118190474 0.15
## 3029 NumCarbon -0.1200727172 0.15
## 3030 NumOxygen 0.1361853059 0.15
## 3031 NumSulfer -0.0900109434 0.15
## 3032 NumChlorine -0.2797318141 0.15
## 3033 HydrophilicFactor 0.0696293441 0.15
## 3034 SurfaceArea1 0.0053537512 0.15
## 3035 (Intercept) -0.3867786288 0.14
## 3036 FP011 0.1041491854 0.14
## 3037 FP039 -0.2038968875 0.14
## 3038 FP040 0.3254007084 0.14
## 3039 FP043 0.1685895852 0.14
## 3040 FP044 -0.5488024859 0.14
## 3041 FP050 -0.0038921250 0.14
## 3042 FP059 -0.5782751618 0.14
## 3043 FP063 0.2850948829 0.14
## 3044 FP072 0.4584343590 0.14
## 3045 FP073 0.0367867962 0.14
## 3046 FP074 0.1163292998 0.14
## 3047 FP084 0.0747062300 0.14
## 3048 FP094 -0.0567192259 0.14
## 3049 FP101 0.0396227725 0.14
## 3050 FP111 -0.1283600608 0.14
## 3051 FP124 0.0054472012 0.14
## 3052 FP135 0.2493512120 0.14
## 3053 FP142 0.3342292410 0.14
## 3054 FP147 0.0736102979 0.14
## 3055 FP172 -0.0404058364 0.14
## 3056 FP193 -0.0017617755 0.14
## 3057 FP204 -0.2214420681 0.14
## 3058 FP206 -0.2355032816 0.14
## 3059 MolWeight -0.0071031175 0.14
## 3060 NumMultBonds -0.0646492376 0.14
## 3061 NumRotBonds -0.0118190474 0.14
## 3062 NumCarbon -0.1200727172 0.14
## 3063 NumOxygen 0.1361853059 0.14
## 3064 NumSulfer -0.0900109434 0.14
## 3065 NumChlorine -0.2797318141 0.14
## 3066 HydrophilicFactor 0.0696293441 0.14
## 3067 SurfaceArea1 0.0053537512 0.14
## 3068 (Intercept) -0.3867786288 0.13
## 3069 FP011 0.1041491854 0.13
## 3070 FP039 -0.2038968875 0.13
## 3071 FP040 0.3254007084 0.13
## 3072 FP043 0.1685895852 0.13
## 3073 FP044 -0.5488024859 0.13
## 3074 FP050 -0.0038921250 0.13
## 3075 FP059 -0.5782751618 0.13
## 3076 FP063 0.2850948829 0.13
## 3077 FP072 0.4584343590 0.13
## 3078 FP073 0.0367867962 0.13
## 3079 FP074 0.1163292998 0.13
## 3080 FP084 0.0747062300 0.13
## 3081 FP094 -0.0567192259 0.13
## 3082 FP101 0.0396227725 0.13
## 3083 FP111 -0.1283600608 0.13
## 3084 FP124 0.0054472012 0.13
## 3085 FP135 0.2493512120 0.13
## 3086 FP142 0.3342292410 0.13
## 3087 FP147 0.0736102979 0.13
## 3088 FP172 -0.0404058364 0.13
## 3089 FP193 -0.0017617755 0.13
## 3090 FP204 -0.2214420681 0.13
## 3091 FP206 -0.2355032816 0.13
## 3092 MolWeight -0.0071031175 0.13
## 3093 NumMultBonds -0.0646492376 0.13
## 3094 NumRotBonds -0.0118190474 0.13
## 3095 NumCarbon -0.1200727172 0.13
## 3096 NumOxygen 0.1361853059 0.13
## 3097 NumSulfer -0.0900109434 0.13
## 3098 NumChlorine -0.2797318141 0.13
## 3099 HydrophilicFactor 0.0696293441 0.13
## 3100 SurfaceArea1 0.0053537512 0.13
## 3101 (Intercept) -0.3867786288 0.12
## 3102 FP011 0.1041491854 0.12
## 3103 FP039 -0.2038968875 0.12
## 3104 FP040 0.3254007084 0.12
## 3105 FP043 0.1685895852 0.12
## 3106 FP044 -0.5488024859 0.12
## 3107 FP050 -0.0038921250 0.12
## 3108 FP059 -0.5782751618 0.12
## 3109 FP063 0.2850948829 0.12
## 3110 FP072 0.4584343590 0.12
## 3111 FP073 0.0367867962 0.12
## 3112 FP074 0.1163292998 0.12
## 3113 FP084 0.0747062300 0.12
## 3114 FP094 -0.0567192259 0.12
## 3115 FP101 0.0396227725 0.12
## 3116 FP111 -0.1283600608 0.12
## 3117 FP124 0.0054472012 0.12
## 3118 FP135 0.2493512120 0.12
## 3119 FP142 0.3342292410 0.12
## 3120 FP147 0.0736102979 0.12
## 3121 FP172 -0.0404058364 0.12
## 3122 FP193 -0.0017617755 0.12
## 3123 FP204 -0.2214420681 0.12
## 3124 FP206 -0.2355032816 0.12
## 3125 MolWeight -0.0071031175 0.12
## 3126 NumMultBonds -0.0646492376 0.12
## 3127 NumRotBonds -0.0118190474 0.12
## 3128 NumCarbon -0.1200727172 0.12
## 3129 NumOxygen 0.1361853059 0.12
## 3130 NumSulfer -0.0900109434 0.12
## 3131 NumChlorine -0.2797318141 0.12
## 3132 HydrophilicFactor 0.0696293441 0.12
## 3133 SurfaceArea1 0.0053537512 0.12
## 3134 (Intercept) -0.3867786288 0.11
## 3135 FP011 0.1041491854 0.11
## 3136 FP039 -0.2038968875 0.11
## 3137 FP040 0.3254007084 0.11
## 3138 FP043 0.1685895852 0.11
## 3139 FP044 -0.5488024859 0.11
## 3140 FP050 -0.0038921250 0.11
## 3141 FP059 -0.5782751618 0.11
## 3142 FP063 0.2850948829 0.11
## 3143 FP072 0.4584343590 0.11
## 3144 FP073 0.0367867962 0.11
## 3145 FP074 0.1163292998 0.11
## 3146 FP084 0.0747062300 0.11
## 3147 FP094 -0.0567192259 0.11
## 3148 FP101 0.0396227725 0.11
## 3149 FP111 -0.1283600608 0.11
## 3150 FP124 0.0054472012 0.11
## 3151 FP135 0.2493512120 0.11
## 3152 FP142 0.3342292410 0.11
## 3153 FP147 0.0736102979 0.11
## 3154 FP172 -0.0404058364 0.11
## 3155 FP193 -0.0017617755 0.11
## 3156 FP204 -0.2214420681 0.11
## 3157 FP206 -0.2355032816 0.11
## 3158 MolWeight -0.0071031175 0.11
## 3159 NumMultBonds -0.0646492376 0.11
## 3160 NumRotBonds -0.0118190474 0.11
## 3161 NumCarbon -0.1200727172 0.11
## 3162 NumOxygen 0.1361853059 0.11
## 3163 NumSulfer -0.0900109434 0.11
## 3164 NumChlorine -0.2797318141 0.11
## 3165 HydrophilicFactor 0.0696293441 0.11
## 3166 SurfaceArea1 0.0053537512 0.11
## 3167 (Intercept) -0.3867786288 0.10
## 3168 FP011 0.1041491854 0.10
## 3169 FP039 -0.2038968875 0.10
## 3170 FP040 0.3254007084 0.10
## 3171 FP043 0.1685895852 0.10
## 3172 FP044 -0.5488024859 0.10
## 3173 FP050 -0.0038921250 0.10
## 3174 FP059 -0.5782751618 0.10
## 3175 FP063 0.2850948829 0.10
## 3176 FP072 0.4584343590 0.10
## 3177 FP073 0.0367867962 0.10
## 3178 FP074 0.1163292998 0.10
## 3179 FP084 0.0747062300 0.10
## 3180 FP094 -0.0567192259 0.10
## 3181 FP101 0.0396227725 0.10
## 3182 FP111 -0.1283600608 0.10
## 3183 FP124 0.0054472012 0.10
## 3184 FP135 0.2493512120 0.10
## 3185 FP142 0.3342292410 0.10
## 3186 FP147 0.0736102979 0.10
## 3187 FP172 -0.0404058364 0.10
## 3188 FP193 -0.0017617755 0.10
## 3189 FP204 -0.2214420681 0.10
## 3190 FP206 -0.2355032816 0.10
## 3191 MolWeight -0.0071031175 0.10
## 3192 NumMultBonds -0.0646492376 0.10
## 3193 NumRotBonds -0.0118190474 0.10
## 3194 NumCarbon -0.1200727172 0.10
## 3195 NumOxygen 0.1361853059 0.10
## 3196 NumSulfer -0.0900109434 0.10
## 3197 NumChlorine -0.2797318141 0.10
## 3198 HydrophilicFactor 0.0696293441 0.10
## 3199 SurfaceArea1 0.0053537512 0.10
## 3200 (Intercept) -0.3659750615 0.09
## 3201 FP011 0.1144969208 0.09
## 3202 FP039 -0.2410780349 0.09
## 3203 FP040 0.3507376729 0.09
## 3204 FP043 0.1727414302 0.09
## 3205 FP044 -0.5317351534 0.09
## 3206 FP050 -0.0240595135 0.09
## 3207 FP059 -0.5728041229 0.09
## 3208 FP063 0.3094110839 0.09
## 3209 FP065 -0.0158365849 0.09
## 3210 FP072 0.4537819021 0.09
## 3211 FP073 0.0398561294 0.09
## 3212 FP074 0.1310613560 0.09
## 3213 FP080 0.0169006465 0.09
## 3214 FP084 0.0588643782 0.09
## 3215 FP094 -0.0686234010 0.09
## 3216 FP101 0.0679583906 0.09
## 3217 FP111 -0.1690378913 0.09
## 3218 FP124 0.0169966110 0.09
## 3219 FP135 0.2559012733 0.09
## 3220 FP142 0.3519327507 0.09
## 3221 FP147 0.0679318969 0.09
## 3222 FP172 -0.0482770134 0.09
## 3223 FP193 -0.0280468913 0.09
## 3224 FP204 -0.2149902226 0.09
## 3225 FP206 -0.2379201526 0.09
## 3226 MolWeight -0.0070750028 0.09
## 3227 NumMultBonds -0.0640277179 0.09
## 3228 NumRotBonds -0.0172414266 0.09
## 3229 NumCarbon -0.1240468219 0.09
## 3230 NumOxygen 0.1482908823 0.09
## 3231 NumSulfer -0.1037980323 0.09
## 3232 NumChlorine -0.2817425593 0.09
## 3233 HydrophilicFactor 0.0625883883 0.09
## 3234 SurfaceArea1 0.0054365642 0.09
## 3235 (Intercept) -0.3430448029 0.08
## 3236 FP011 0.1193360692 0.08
## 3237 FP039 -0.2858689163 0.08
## 3238 FP040 0.3736270206 0.08
## 3239 FP043 0.1800151423 0.08
## 3240 FP044 -0.5190563564 0.08
## 3241 FP050 -0.0461235450 0.08
## 3242 FP059 -0.5647790515 0.08
## 3243 FP063 0.3330317174 0.08
## 3244 FP065 -0.0435421126 0.08
## 3245 FP072 0.4520242641 0.08
## 3246 FP073 0.0394368035 0.08
## 3247 FP074 0.1486208870 0.08
## 3248 FP080 0.0350042802 0.08
## 3249 FP084 0.0298589259 0.08
## 3250 FP085 -0.0068340186 0.08
## 3251 FP094 -0.0785863251 0.08
## 3252 FP101 0.1050501202 0.08
## 3253 FP111 -0.2075260869 0.08
## 3254 FP124 0.0301172636 0.08
## 3255 FP135 0.2632113065 0.08
## 3256 FP136 0.0155088631 0.08
## 3257 FP142 0.3706554985 0.08
## 3258 FP144 0.0100264979 0.08
## 3259 FP147 0.0584657618 0.08
## 3260 FP172 -0.0490814135 0.08
## 3261 FP193 -0.0513649318 0.08
## 3262 FP204 -0.2059135066 0.08
## 3263 FP206 -0.2345703203 0.08
## 3264 MolWeight -0.0070695556 0.08
## 3265 NumMultBonds -0.0627018615 0.08
## 3266 NumRotBonds -0.0252396206 0.08
## 3267 NumCarbon -0.1269936046 0.08
## 3268 NumOxygen 0.1655597315 0.08
## 3269 NumSulfer -0.1146843281 0.08
## 3270 NumChlorine -0.2830358174 0.08
## 3271 HydrophilicFactor 0.0608117127 0.08
## 3272 SurfaceArea1 0.0052409682 0.08
## 3273 (Intercept) -0.3160872675 0.07
## 3274 FP011 0.1220388231 0.07
## 3275 FP039 -0.3500907491 0.07
## 3276 FP040 0.3856920981 0.07
## 3277 FP043 0.2000811249 0.07
## 3278 FP044 -0.5147061010 0.07
## 3279 FP050 -0.0656966626 0.07
## 3280 FP059 -0.5566537567 0.07
## 3281 FP063 0.3592443701 0.07
## 3282 FP065 -0.0686176268 0.07
## 3283 FP072 0.4515622917 0.07
## 3284 FP073 0.0388415864 0.07
## 3285 FP074 0.1621929476 0.07
## 3286 FP080 0.0427922480 0.07
## 3287 FP084 0.0026632971 0.07
## 3288 FP085 -0.0391209354 0.07
## 3289 FP088 0.0113241769 0.07
## 3290 FP094 -0.0850251870 0.07
## 3291 FP101 0.1253944952 0.07
## 3292 FP111 -0.2412977063 0.07
## 3293 FP124 0.0432293775 0.07
## 3294 FP135 0.2761394646 0.07
## 3295 FP136 0.0711415353 0.07
## 3296 FP142 0.3947527121 0.07
## 3297 FP144 0.0322012037 0.07
## 3298 FP147 0.0502673652 0.07
## 3299 FP172 -0.0432858560 0.07
## 3300 FP175 -0.0072048813 0.07
## 3301 FP193 -0.0592554115 0.07
## 3302 FP204 -0.1947287350 0.07
## 3303 FP206 -0.2250780359 0.07
## 3304 MolWeight -0.0070458839 0.07
## 3305 NumMultBonds -0.0600820670 0.07
## 3306 NumRotBonds -0.0350400330 0.07
## 3307 NumCarbon -0.1303315645 0.07
## 3308 NumOxygen 0.1929510989 0.07
## 3309 NumSulfer -0.1245004525 0.07
## 3310 NumChlorine -0.2849099454 0.07
## 3311 HydrophilicFactor 0.0646293950 0.07
## 3312 SurfaceArea1 0.0043786159 0.07
## 3313 (Intercept) -0.2886544084 0.06
## 3314 FP011 0.1239735294 0.06
## 3315 FP031 0.0051528633 0.06
## 3316 FP039 -0.4169426320 0.06
## 3317 FP040 0.3921157171 0.06
## 3318 FP043 0.2220545466 0.06
## 3319 FP044 -0.5100109976 0.06
## 3320 FP050 -0.0845633781 0.06
## 3321 FP059 -0.5474752549 0.06
## 3322 FP063 0.3868784315 0.06
## 3323 FP065 -0.0932439253 0.06
## 3324 FP072 0.4497719607 0.06
## 3325 FP073 0.0425039099 0.06
## 3326 FP074 0.1733635010 0.06
## 3327 FP080 0.0474092859 0.06
## 3328 FP081 -0.0025814556 0.06
## 3329 FP082 -0.0040673974 0.06
## 3330 FP085 -0.0728343298 0.06
## 3331 FP088 0.0314614738 0.06
## 3332 FP094 -0.0864884353 0.06
## 3333 FP101 0.1206096541 0.06
## 3334 FP111 -0.2720417795 0.06
## 3335 FP124 0.0581177609 0.06
## 3336 FP135 0.2894975106 0.06
## 3337 FP136 0.1306725914 0.06
## 3338 FP142 0.4187239402 0.06
## 3339 FP144 0.0535101350 0.06
## 3340 FP147 0.0430944435 0.06
## 3341 FP172 -0.0378440271 0.06
## 3342 FP175 -0.0261481094 0.06
## 3343 FP193 -0.0667092785 0.06
## 3344 FP204 -0.1736653119 0.06
## 3345 FP206 -0.2231938030 0.06
## 3346 MolWeight -0.0070174475 0.06
## 3347 NumMultBonds -0.0572161331 0.06
## 3348 NumRotBonds -0.0446525497 0.06
## 3349 NumCarbon -0.1336924721 0.06
## 3350 NumOxygen 0.2179440714 0.06
## 3351 NumSulfer -0.1352083923 0.06
## 3352 NumChlorine -0.2868693582 0.06
## 3353 HydrophilicFactor 0.0684243596 0.06
## 3354 SurfaceArea1 0.0035264128 0.06
## 3355 (Intercept) -0.2596639769 0.05
## 3356 FP011 0.1228882566 0.05
## 3357 FP031 0.0307305921 0.05
## 3358 FP039 -0.4888229777 0.05
## 3359 FP040 0.4024265011 0.05
## 3360 FP043 0.2456394281 0.05
## 3361 FP044 -0.5027663848 0.05
## 3362 FP050 -0.1063566272 0.05
## 3363 FP059 -0.5425812320 0.05
## 3364 FP063 0.4118236544 0.05
## 3365 FP065 -0.1188143193 0.05
## 3366 FP072 0.4499620005 0.05
## 3367 FP073 0.0490273201 0.05
## 3368 FP074 0.1847267220 0.05
## 3369 FP080 0.0499990729 0.05
## 3370 FP081 -0.0382852558 0.05
## 3371 FP082 -0.0174177721 0.05
## 3372 FP085 -0.1037853418 0.05
## 3373 FP088 0.0502654028 0.05
## 3374 FP094 -0.0898136149 0.05
## 3375 FP101 0.1131469328 0.05
## 3376 FP111 -0.2929025365 0.05
## 3377 FP122 0.0036776577 0.05
## 3378 FP124 0.0741173877 0.05
## 3379 FP126 -0.0186634489 0.05
## 3380 FP135 0.3067137223 0.05
## 3381 FP136 0.1992683777 0.05
## 3382 FP142 0.4461167658 0.05
## 3383 FP144 0.0719405404 0.05
## 3384 FP147 0.0357709773 0.05
## 3385 FP172 -0.0290726394 0.05
## 3386 FP175 -0.0161848678 0.05
## 3387 FP188 0.0176420363 0.05
## 3388 FP193 -0.0783298586 0.05
## 3389 FP198 0.0072350157 0.05
## 3390 FP202 0.0164219352 0.05
## 3391 FP204 -0.1551142279 0.05
## 3392 FP206 -0.2190132639 0.05
## 3393 MolWeight -0.0070100242 0.05
## 3394 NumMultBonds -0.0563019757 0.05
## 3395 NumRotBonds -0.0556599012 0.05
## 3396 NumCarbon -0.1349148801 0.05
## 3397 NumOxygen 0.2402329619 0.05
## 3398 NumSulfer -0.1434578061 0.05
## 3399 NumChlorine -0.2886008939 0.05
## 3400 HydrophilicFactor 0.0729906156 0.05
## 3401 SurfaceArea1 0.0027849839 0.05
## 3402 (Intercept) -0.2554290552 0.04
## 3403 FP011 0.1253434268 0.04
## 3404 FP026 0.0115098598 0.04
## 3405 FP031 0.0645886973 0.04
## 3406 FP033 0.0233508314 0.04
## 3407 FP037 0.0075994740 0.04
## 3408 FP039 -0.5451717409 0.04
## 3409 FP040 0.4232817626 0.04
## 3410 FP042 0.0778813852 0.04
## 3411 FP043 0.2490051192 0.04
## 3412 FP044 -0.4836336512 0.04
## 3413 FP050 -0.1420933928 0.04
## 3414 FP059 -0.5221974653 0.04
## 3415 FP063 0.4386913378 0.04
## 3416 FP065 -0.1635931445 0.04
## 3417 FP070 -0.0137204668 0.04
## 3418 FP072 0.4595059360 0.04
## 3419 FP073 0.0448118549 0.04
## 3420 FP074 0.2004737611 0.04
## 3421 FP080 0.0489193597 0.04
## 3422 FP081 -0.0940519212 0.04
## 3423 FP082 -0.0357088346 0.04
## 3424 FP085 -0.1358417485 0.04
## 3425 FP088 0.0589253368 0.04
## 3426 FP094 -0.0815854808 0.04
## 3427 FP101 0.1561169051 0.04
## 3428 FP111 -0.3070541443 0.04
## 3429 FP122 0.0392405043 0.04
## 3430 FP123 -0.0226211993 0.04
## 3431 FP124 0.1024102252 0.04
## 3432 FP126 -0.0846630324 0.04
## 3433 FP128 -0.0386718423 0.04
## 3434 FP135 0.3256571225 0.04
## 3435 FP136 0.2347133385 0.04
## 3436 FP142 0.4893951783 0.04
## 3437 FP144 0.0630417611 0.04
## 3438 FP145 -0.0590096091 0.04
## 3439 FP147 0.0188553498 0.04
## 3440 FP148 -0.0125682815 0.04
## 3441 FP154 -0.0038045086 0.04
## 3442 FP172 -0.0122365871 0.04
## 3443 FP175 -0.0007303732 0.04
## 3444 FP188 0.0691566285 0.04
## 3445 FP193 -0.0930938325 0.04
## 3446 FP198 0.0451649051 0.04
## 3447 FP202 0.0909781316 0.04
## 3448 FP204 -0.1189591490 0.04
## 3449 FP206 -0.2296150230 0.04
## 3450 FP207 0.0230973981 0.04
## 3451 MolWeight -0.0068112641 0.04
## 3452 NumMultBonds -0.0596145171 0.04
## 3453 NumRotBonds -0.0705412127 0.04
## 3454 NumCarbon -0.1371626541 0.04
## 3455 NumOxygen 0.2593777004 0.04
## 3456 NumSulfer -0.1639644709 0.04
## 3457 NumChlorine -0.2883843634 0.04
## 3458 HydrophilicFactor 0.0663695082 0.04
## 3459 SurfaceArea1 0.0030085965 0.04
## 3460 (Intercept) -0.2506800390 0.03
## 3461 FP011 0.1368943827 0.03
## 3462 FP026 0.0676725179 0.03
## 3463 FP031 0.0949047660 0.03
## 3464 FP033 0.1179139012 0.03
## 3465 FP034 -0.0270453490 0.03
## 3466 FP036 -0.0020680064 0.03
## 3467 FP037 0.0577798205 0.03
## 3468 FP039 -0.5879699771 0.03
## 3469 FP040 0.4596965014 0.03
## 3470 FP042 0.1510859557 0.03
## 3471 FP043 0.2479084530 0.03
## 3472 FP044 -0.4457316248 0.03
## 3473 FP050 -0.1767144981 0.03
## 3474 FP059 -0.5149351737 0.03
## 3475 FP063 0.4874238538 0.03
## 3476 FP065 -0.1949105578 0.03
## 3477 FP070 -0.0209910571 0.03
## 3478 FP072 0.4696410396 0.03
## 3479 FP073 0.0234686470 0.03
## 3480 FP074 0.1951421172 0.03
## 3481 FP080 0.0482056019 0.03
## 3482 FP081 -0.1583083613 0.03
## 3483 FP082 -0.0479449355 0.03
## 3484 FP085 -0.1745399773 0.03
## 3485 FP087 -0.0001578350 0.03
## 3486 FP088 0.0725403871 0.03
## 3487 FP094 -0.0640557002 0.03
## 3488 FP098 -0.0077784948 0.03
## 3489 FP101 0.2055822913 0.03
## 3490 FP102 0.0161661791 0.03
## 3491 FP111 -0.3418202285 0.03
## 3492 FP122 0.0758767611 0.03
## 3493 FP123 -0.0522775611 0.03
## 3494 FP124 0.1334537209 0.03
## 3495 FP126 -0.1445332504 0.03
## 3496 FP128 -0.0826961119 0.03
## 3497 FP135 0.3170555058 0.03
## 3498 FP136 0.2480819421 0.03
## 3499 FP138 0.0095463297 0.03
## 3500 FP142 0.5173532319 0.03
## 3501 FP144 0.0664637279 0.03
## 3502 FP145 -0.1406124490 0.03
## 3503 FP147 0.0102619042 0.03
## 3504 FP148 -0.0614534853 0.03
## 3505 FP154 -0.0483503618 0.03
## 3506 FP159 0.0461817411 0.03
## 3507 FP166 0.0118283975 0.03
## 3508 FP168 -0.0264466681 0.03
## 3509 FP171 0.0050252443 0.03
## 3510 FP172 -0.0210234455 0.03
## 3511 FP187 0.0177635056 0.03
## 3512 FP188 0.1181864758 0.03
## 3513 FP193 -0.1098333416 0.03
## 3514 FP198 0.0699432629 0.03
## 3515 FP202 0.1799384741 0.03
## 3516 FP204 -0.0894392122 0.03
## 3517 FP206 -0.2286983979 0.03
## 3518 FP207 0.1274602007 0.03
## 3519 MolWeight -0.0065611722 0.03
## 3520 NumMultBonds -0.0658544159 0.03
## 3521 NumRotBonds -0.0828723884 0.03
## 3522 NumCarbon -0.1409717796 0.03
## 3523 NumOxygen 0.2766709550 0.03
## 3524 NumSulfer -0.2044718579 0.03
## 3525 NumChlorine -0.2862439636 0.03
## 3526 HydrophilicFactor 0.0545552631 0.03
## 3527 SurfaceArea1 0.0037068663 0.03
## 3528 (Intercept) -0.2515844623 0.02
## 3529 FP002 0.0039513354 0.02
## 3530 FP004 -0.0135550864 0.02
## 3531 FP007 -0.0047199882 0.02
## 3532 FP011 0.1025472243 0.02
## 3533 FP015 -0.0084499148 0.02
## 3534 FP021 0.0108869959 0.02
## 3535 FP023 -0.0059258072 0.02
## 3536 FP026 0.1376912365 0.02
## 3537 FP029 -0.0057911958 0.02
## 3538 FP031 0.1378741817 0.02
## 3539 FP033 0.1895882179 0.02
## 3540 FP034 -0.0938333487 0.02
## 3541 FP036 -0.0089244570 0.02
## 3542 FP037 0.1034709090 0.02
## 3543 FP039 -0.6208231809 0.02
## 3544 FP040 0.5217092799 0.02
## 3545 FP042 0.2052899138 0.02
## 3546 FP043 0.2458006743 0.02
## 3547 FP044 -0.3824344611 0.02
## 3548 FP049 0.0033744314 0.02
## 3549 FP050 -0.1949132363 0.02
## 3550 FP053 0.0136741176 0.02
## 3551 FP059 -0.4918956977 0.02
## 3552 FP063 0.5690075234 0.02
## 3553 FP064 0.0212364214 0.02
## 3554 FP065 -0.2023922257 0.02
## 3555 FP070 -0.0316035105 0.02
## 3556 FP072 0.5230849929 0.02
## 3557 FP073 0.0140140235 0.02
## 3558 FP074 0.1752487399 0.02
## 3559 FP075 0.0468191374 0.02
## 3560 FP080 0.0407763695 0.02
## 3561 FP081 -0.2227261023 0.02
## 3562 FP082 -0.0594267488 0.02
## 3563 FP083 -0.0164294876 0.02
## 3564 FP085 -0.2081710040 0.02
## 3565 FP087 -0.0662260950 0.02
## 3566 FP088 0.0969554585 0.02
## 3567 FP089 0.0041350110 0.02
## 3568 FP091 0.0460866318 0.02
## 3569 FP094 -0.0605582112 0.02
## 3570 FP098 -0.0892028805 0.02
## 3571 FP099 0.0104121658 0.02
## 3572 FP100 -0.0108328385 0.02
## 3573 FP101 0.2260135110 0.02
## 3574 FP102 0.0245002008 0.02
## 3575 FP103 -0.0335310783 0.02
## 3576 FP104 -0.0057191136 0.02
## 3577 FP109 0.0151736469 0.02
## 3578 FP111 -0.4213259725 0.02
## 3579 FP113 0.0041832527 0.02
## 3580 FP122 0.1196216609 0.02
## 3581 FP123 -0.0700222912 0.02
## 3582 FP124 0.1786641524 0.02
## 3583 FP126 -0.2262768335 0.02
## 3584 FP128 -0.1541423256 0.02
## 3585 FP131 0.0122302776 0.02
## 3586 FP133 -0.0251980940 0.02
## 3587 FP135 0.2893890828 0.02
## 3588 FP136 0.2716243836 0.02
## 3589 FP138 0.0470306603 0.02
## 3590 FP142 0.5103283002 0.02
## 3591 FP144 0.0765396400 0.02
## 3592 FP145 -0.2275035180 0.02
## 3593 FP148 -0.1228102032 0.02
## 3594 FP149 0.0018339944 0.02
## 3595 FP154 -0.1439979057 0.02
## 3596 FP155 0.0028127828 0.02
## 3597 FP157 -0.0277159038 0.02
## 3598 FP159 0.1037244771 0.02
## 3599 FP161 -0.0129566110 0.02
## 3600 FP164 0.0220276820 0.02
## 3601 FP166 0.0588343398 0.02
## 3602 FP168 -0.0454598373 0.02
## 3603 FP171 0.0569054065 0.02
## 3604 FP172 -0.0461273934 0.02
## 3605 FP173 0.0115358336 0.02
## 3606 FP176 0.0164165890 0.02
## 3607 FP180 -0.0005828933 0.02
## 3608 FP184 0.0221713339 0.02
## 3609 FP186 -0.0056084680 0.02
## 3610 FP187 0.0755390940 0.02
## 3611 FP188 0.1716142524 0.02
## 3612 FP191 0.0133292377 0.02
## 3613 FP193 -0.1326184063 0.02
## 3614 FP196 0.0065718181 0.02
## 3615 FP198 0.0671835837 0.02
## 3616 FP201 -0.1098970650 0.02
## 3617 FP202 0.2463560798 0.02
## 3618 FP203 0.0015899788 0.02
## 3619 FP204 -0.0529327972 0.02
## 3620 FP206 -0.1973621695 0.02
## 3621 FP207 0.2324079137 0.02
## 3622 MolWeight -0.0063390000 0.02
## 3623 NumMultBonds -0.0736133609 0.02
## 3624 NumRotBonds -0.1013725371 0.02
## 3625 NumAromaticBonds -0.0009236023 0.02
## 3626 NumCarbon -0.1443907689 0.02
## 3627 NumOxygen 0.3027163798 0.02
## 3628 NumSulfer -0.2492771001 0.02
## 3629 NumChlorine -0.2858109526 0.02
## 3630 HydrophilicFactor 0.0339099172 0.02
## 3631 SurfaceArea1 0.0049936096 0.02
## 3632 (Intercept) -0.1185041111 0.01
## 3633 FP002 0.0070742039 0.01
## 3634 FP004 -0.1634616681 0.01
## 3635 FP007 -0.0628235426 0.01
## 3636 FP011 0.0213730504 0.01
## 3637 FP015 -0.1054704650 0.01
## 3638 FP017 -0.0563303605 0.01
## 3639 FP021 0.0112931875 0.01
## 3640 FP023 -0.1480926556 0.01
## 3641 FP024 -0.0344902941 0.01
## 3642 FP026 0.2346177464 0.01
## 3643 FP027 0.0302567043 0.01
## 3644 FP029 -0.0043696623 0.01
## 3645 FP031 0.1710569474 0.01
## 3646 FP033 0.2462993854 0.01
## 3647 FP034 -0.1713600028 0.01
## 3648 FP036 -0.0003080760 0.01
## 3649 FP037 0.1374687169 0.01
## 3650 FP039 -0.6062616446 0.01
## 3651 FP040 0.5601170284 0.01
## 3652 FP042 0.1894131010 0.01
## 3653 FP043 0.2730018424 0.01
## 3654 FP044 -0.3544756852 0.01
## 3655 FP045 0.0052268431 0.01
## 3656 FP049 0.0367461300 0.01
## 3657 FP050 -0.1977436347 0.01
## 3658 FP053 0.0732771429 0.01
## 3659 FP057 -0.0027104273 0.01
## 3660 FP059 -0.4017957006 0.01
## 3661 FP061 -0.0122839701 0.01
## 3662 FP063 0.7171632566 0.01
## 3663 FP064 0.1270769714 0.01
## 3664 FP065 -0.2456542218 0.01
## 3665 FP067 -0.0006196949 0.01
## 3666 FP070 -0.0175678570 0.01
## 3667 FP071 0.0076056976 0.01
## 3668 FP072 0.6498807509 0.01
## 3669 FP074 0.1835539695 0.01
## 3670 FP075 0.1304738733 0.01
## 3671 FP076 0.0516589348 0.01
## 3672 FP078 -0.0346873272 0.01
## 3673 FP080 0.0093227947 0.01
## 3674 FP081 -0.2523969887 0.01
## 3675 FP082 -0.0654351986 0.01
## 3676 FP083 -0.1242429182 0.01
## 3677 FP084 0.0653976837 0.01
## 3678 FP085 -0.2496806286 0.01
## 3679 FP087 -0.1487638931 0.01
## 3680 FP088 0.1116364676 0.01
## 3681 FP089 0.1350118623 0.01
## 3682 FP090 -0.0131436504 0.01
## 3683 FP091 0.1277206273 0.01
## 3684 FP093 0.0022701436 0.01
## 3685 FP094 -0.1047417467 0.01
## 3686 FP096 -0.0585878543 0.01
## 3687 FP098 -0.1585363802 0.01
## 3688 FP099 0.0765248470 0.01
## 3689 FP100 -0.1347695390 0.01
## 3690 FP101 0.1395392167 0.01
## 3691 FP103 -0.1052340108 0.01
## 3692 FP104 -0.0625511773 0.01
## 3693 FP109 0.1416094625 0.01
## 3694 FP111 -0.4650869759 0.01
## 3695 FP113 0.0504122877 0.01
## 3696 FP115 -0.0270326341 0.01
## 3697 FP119 0.0129069883 0.01
## 3698 FP121 -0.0022450311 0.01
## 3699 FP122 0.1501609726 0.01
## 3700 FP123 -0.0903589114 0.01
## 3701 FP124 0.2536325050 0.01
## 3702 FP125 -0.0087997992 0.01
## 3703 FP126 -0.3621500490 0.01
## 3704 FP127 -0.0544640584 0.01
## 3705 FP128 -0.1536936670 0.01
## 3706 FP131 0.1083532531 0.01
## 3707 FP133 -0.1410485281 0.01
## 3708 FP135 0.2519495455 0.01
## 3709 FP136 0.2791691864 0.01
## 3710 FP138 0.0738251626 0.01
## 3711 FP141 -0.0199177591 0.01
## 3712 FP142 0.5047946059 0.01
## 3713 FP143 0.0076419049 0.01
## 3714 FP144 0.1521483974 0.01
## 3715 FP145 -0.2886135574 0.01
## 3716 FP147 0.0155507007 0.01
## 3717 FP148 -0.1796022297 0.01
## 3718 FP149 0.0057279771 0.01
## 3719 FP150 0.0293146750 0.01
## 3720 FP152 -0.0065983577 0.01
## 3721 FP154 -0.3331906195 0.01
## 3722 FP155 0.0356464014 0.01
## 3723 FP157 -0.1068531343 0.01
## 3724 FP159 0.1693650343 0.01
## 3725 FP161 -0.1318661027 0.01
## 3726 FP163 0.0776520747 0.01
## 3727 FP164 0.2352525044 0.01
## 3728 FP166 0.0391273946 0.01
## 3729 FP167 -0.0153055807 0.01
## 3730 FP168 -0.0886262505 0.01
## 3731 FP169 -0.0150238949 0.01
## 3732 FP171 0.1690110674 0.01
## 3733 FP172 -0.1922788317 0.01
## 3734 FP173 0.1554732977 0.01
## 3735 FP174 -0.0495926705 0.01
## 3736 FP176 0.1399672339 0.01
## 3737 FP180 -0.0011657865 0.01
## 3738 FP181 0.0911068647 0.01
## 3739 FP184 0.2183522986 0.01
## 3740 FP185 -0.0204206636 0.01
## 3741 FP186 -0.0701842887 0.01
## 3742 FP187 0.1394739810 0.01
## 3743 FP188 0.1740005917 0.01
## 3744 FP190 0.0528018934 0.01
## 3745 FP191 0.1388606870 0.01
## 3746 FP193 -0.1320737538 0.01
## 3747 FP196 0.0462998295 0.01
## 3748 FP198 0.0024725100 0.01
## 3749 FP201 -0.3685017539 0.01
## 3750 FP202 0.3266265118 0.01
## 3751 FP203 0.0087001544 0.01
## 3752 FP204 -0.0077084566 0.01
## 3753 FP206 -0.1128887775 0.01
## 3754 FP207 0.2290810021 0.01
## 3755 MolWeight -0.0064547977 0.01
## 3756 NumMultBonds -0.0365642128 0.01
## 3757 NumRotBonds -0.1212401509 0.01
## 3758 NumAromaticBonds -0.0626443493 0.01
## 3759 NumCarbon -0.1539651639 0.01
## 3760 NumNitrogen 0.0629921329 0.01
## 3761 NumOxygen 0.3907126134 0.01
## 3762 NumSulfer -0.2931849168 0.01
## 3763 NumChlorine -0.2922243363 0.01
## 3764 HydrophilicFactor 0.0431275789 0.01
## 3765 SurfaceArea1 0.0024823622 0.01
## 3766 (Intercept) 0.0219339414 0.00
## 3767 FP001 0.1426937532 0.00
## 3768 FP002 0.1315358049 0.00
## 3769 FP003 -0.1215427593 0.00
## 3770 FP004 -0.4422922278 0.00
## 3771 FP005 -0.3663077360 0.00
## 3772 FP006 0.0229319650 0.00
## 3773 FP007 -0.0916181150 0.00
## 3774 FP008 0.0225880935 0.00
## 3775 FP009 -0.6557791284 0.00
## 3776 FP010 0.6402225047 0.00
## 3777 FP011 0.1612968182 0.00
## 3778 FP012 -0.1369661679 0.00
## 3779 FP013 -0.2844289453 0.00
## 3780 FP014 0.3663096519 0.00
## 3781 FP015 -0.4071235302 0.00
## 3782 FP016 0.0431679529 0.00
## 3783 FP017 -0.1822960263 0.00
## 3784 FP018 -0.5026555830 0.00
## 3785 FP019 0.0638546462 0.00
## 3786 FP020 -0.0146080117 0.00
## 3787 FP021 0.1668459289 0.00
## 3788 FP022 -0.0823067351 0.00
## 3789 FP023 -0.4362277972 0.00
## 3790 FP024 -0.5330631654 0.00
## 3791 FP025 0.1662632009 0.00
## 3792 FP026 0.3343223377 0.00
## 3793 FP027 0.0327682155 0.00
## 3794 FP028 0.0642173769 0.00
## 3795 FP029 -0.0333805724 0.00
## 3796 FP030 -0.2000707355 0.00
## 3797 FP031 0.2187396026 0.00
## 3798 FP032 -1.4260838062 0.00
## 3799 FP033 0.8727536960 0.00
## 3800 FP034 -0.3613395132 0.00
## 3801 FP035 -0.1846349080 0.00
## 3802 FP036 -0.0219810165 0.00
## 3803 FP037 0.0566560637 0.00
## 3804 FP038 0.2322797675 0.00
## 3805 FP039 -0.2016607893 0.00
## 3806 FP040 0.6274271244 0.00
## 3807 FP041 -0.2269222056 0.00
## 3808 FP042 -0.0606433754 0.00
## 3809 FP043 0.5016249536 0.00
## 3810 FP044 -0.4288310052 0.00
## 3811 FP045 0.1295733282 0.00
## 3812 FP046 -0.1044079796 0.00
## 3813 FP047 0.0526735494 0.00
## 3814 FP048 0.3172054366 0.00
## 3815 FP049 0.0228020407 0.00
## 3816 FP050 -0.1472763334 0.00
## 3817 FP051 0.2577211629 0.00
## 3818 FP052 -0.2016823416 0.00
## 3819 FP053 0.1906548189 0.00
## 3820 FP054 -0.0277721462 0.00
## 3821 FP055 -0.2609466782 0.00
## 3822 FP056 -0.2743769392 0.00
## 3823 FP057 -0.0359928576 0.00
## 3824 FP058 -0.0102109044 0.00
## 3825 FP059 -0.1379360920 0.00
## 3826 FP060 0.2825059617 0.00
## 3827 FP061 -0.0585072572 0.00
## 3828 FP062 -0.2051519817 0.00
## 3829 FP063 0.9876894927 0.00
## 3830 FP064 0.2442325108 0.00
## 3831 FP065 -0.2264458137 0.00
## 3832 FP066 0.1970927197 0.00
## 3833 FP067 -0.2281091019 0.00
## 3834 FP068 0.2090220633 0.00
## 3835 FP069 -0.0351077150 0.00
## 3836 FP070 0.0387979584 0.00
## 3837 FP071 0.1690977653 0.00
## 3838 FP072 0.7506374687 0.00
## 3839 FP073 -0.5842311402 0.00
## 3840 FP074 0.2432154640 0.00
## 3841 FP075 0.1845315335 0.00
## 3842 FP076 0.4378715929 0.00
## 3843 FP077 0.0435498142 0.00
## 3844 FP078 -0.2996296289 0.00
## 3845 FP079 0.5220710532 0.00
## 3846 FP080 0.1564958185 0.00
## 3847 FP081 -0.4076970788 0.00
## 3848 FP082 -0.0987046290 0.00
## 3849 FP083 -0.5185753122 0.00
## 3850 FP084 0.4156790895 0.00
## 3851 FP085 -0.4341501565 0.00
## 3852 FP086 -0.0121101768 0.00
## 3853 FP087 -0.4745264882 0.00
## 3854 FP088 0.2588029518 0.00
## 3855 FP089 0.2720341492 0.00
## 3856 FP090 -0.1843799738 0.00
## 3857 FP091 0.2856238255 0.00
## 3858 FP092 0.0701535220 0.00
## 3859 FP093 0.2288643217 0.00
## 3860 FP094 -0.2287547321 0.00
## 3861 FP095 0.0030272778 0.00
## 3862 FP096 -0.2420300467 0.00
## 3863 FP097 -0.3996047195 0.00
## 3864 FP098 -0.2705740369 0.00
## 3865 FP099 0.0302218202 0.00
## 3866 FP100 -0.5027921499 0.00
## 3867 FP101 -0.2018091270 0.00
## 3868 FP102 0.0220523389 0.00
## 3869 FP103 -0.1704848043 0.00
## 3870 FP104 -0.2016366213 0.00
## 3871 FP105 -0.1585791485 0.00
## 3872 FP106 -0.0560009180 0.00
## 3873 FP107 0.3998103284 0.00
## 3874 FP108 -0.1765679083 0.00
## 3875 FP109 0.7269406948 0.00
## 3876 FP110 0.3000279375 0.00
## 3877 FP111 -0.6332609331 0.00
## 3878 FP112 0.1714557764 0.00
## 3879 FP113 0.1466016303 0.00
## 3880 FP114 -0.0632500153 0.00
## 3881 FP115 -0.2730606283 0.00
## 3882 FP116 -0.0773487080 0.00
## 3883 FP117 0.3593067139 0.00
## 3884 FP118 -0.1754615963 0.00
## 3885 FP119 0.4301017416 0.00
## 3886 FP120 -0.1238335988 0.00
## 3887 FP121 -0.1092086748 0.00
## 3888 FP122 0.1674902663 0.00
## 3889 FP123 -0.0660183886 0.00
## 3890 FP124 0.2214293815 0.00
## 3891 FP125 -0.0622891878 0.00
## 3892 FP126 -0.5517762809 0.00
## 3893 FP127 -0.4660883540 0.00
## 3894 FP128 -0.2192146745 0.00
## 3895 FP129 -0.0878306415 0.00
## 3896 FP130 -0.4574907286 0.00
## 3897 FP131 0.1959197993 0.00
## 3898 FP132 -0.0952763979 0.00
## 3899 FP133 -0.2825513328 0.00
## 3900 FP134 -0.0702795358 0.00
## 3901 FP135 0.2285840632 0.00
## 3902 FP136 0.0795294111 0.00
## 3903 FP137 -0.2815940563 0.00
## 3904 FP138 -0.0323628503 0.00
## 3905 FP139 -0.2880371488 0.00
## 3906 FP140 0.1297168402 0.00
## 3907 FP141 0.1877108317 0.00
## 3908 FP142 0.6563189056 0.00
## 3909 FP143 0.7239051367 0.00
## 3910 FP144 0.4605314807 0.00
## 3911 FP145 -0.3940786780 0.00
## 3912 FP146 -0.1204607367 0.00
## 3913 FP147 0.1768743909 0.00
## 3914 FP148 -0.2436589320 0.00
## 3915 FP149 -0.0434694045 0.00
## 3916 FP150 0.0745958758 0.00
## 3917 FP151 0.2605032437 0.00
## 3918 FP152 -0.3217999041 0.00
## 3919 FP153 -0.0001958607 0.00
## 3920 FP154 -0.7972810741 0.00
## 3921 FP155 0.1792845431 0.00
## 3922 FP156 -0.3434983515 0.00
## 3923 FP157 -0.5585369871 0.00
## 3924 FP158 0.2615888555 0.00
## 3925 FP159 0.2542633094 0.00
## 3926 FP160 0.0661855795 0.00
## 3927 FP161 -0.3725503781 0.00
## 3928 FP162 -0.0045386885 0.00
## 3929 FP163 0.4583466552 0.00
## 3930 FP164 0.6127706711 0.00
## 3931 FP165 0.3809325625 0.00
## 3932 FP166 -0.0379798654 0.00
## 3933 FP167 -0.5899705922 0.00
## 3934 FP168 -0.0595035047 0.00
## 3935 FP169 -0.0764583356 0.00
## 3936 FP170 -0.1937326716 0.00
## 3937 FP171 0.3752505935 0.00
## 3938 FP172 -0.3243282704 0.00
## 3939 FP173 0.4620549573 0.00
## 3940 FP174 -0.1828413513 0.00
## 3941 FP175 0.0712153343 0.00
## 3942 FP176 0.6368829908 0.00
## 3943 FP177 -0.0711332403 0.00
## 3944 FP178 0.3152930593 0.00
## 3945 FP179 -0.1288382304 0.00
## 3946 FP180 -0.5108862185 0.00
## 3947 FP181 0.5248522270 0.00
## 3948 FP182 0.0696477271 0.00
## 3949 FP183 0.4981912105 0.00
## 3950 FP184 0.3835460534 0.00
## 3951 FP185 -0.2236324269 0.00
## 3952 FP186 -0.1850823175 0.00
## 3953 FP187 0.6630221792 0.00
## 3954 FP188 0.1766956717 0.00
## 3955 FP189 -0.3784421393 0.00
## 3956 FP190 0.0555010755 0.00
## 3957 FP191 0.1990201835 0.00
## 3958 FP192 -0.2420766007 0.00
## 3959 FP193 0.1167012883 0.00
## 3960 FP194 0.1754225849 0.00
## 3961 FP195 0.0615722732 0.00
## 3962 FP196 0.4965789825 0.00
## 3963 FP197 0.0429252386 0.00
## 3964 FP198 0.0794252014 0.00
## 3965 FP199 -0.0706946233 0.00
## 3966 FP200 -0.1514611088 0.00
## 3967 FP201 -0.4289288363 0.00
## 3968 FP202 0.6017385916 0.00
## 3969 FP203 0.3159081609 0.00
## 3970 FP204 -0.2528466417 0.00
## 3971 FP205 0.1390222834 0.00
## 3972 FP206 -0.0865373373 0.00
## 3973 FP207 0.1005377719 0.00
## 3974 FP208 -0.4101279758 0.00
## 3975 MolWeight -0.0043893713 0.00
## 3976 NumAtoms 0.0228307880 0.00
## 3977 NumNonHAtoms -0.0361404247 0.00
## 3978 NumBonds 0.0082832136 0.00
## 3979 NumNonHBonds -0.0355750342 0.00
## 3980 NumMultBonds 0.0916470164 0.00
## 3981 NumRotBonds -0.1974380717 0.00
## 3982 NumDblBonds 0.1029679797 0.00
## 3983 NumAromaticBonds -0.2022454252 0.00
## 3984 NumHydrogen -0.0039417776 0.00
## 3985 NumCarbon -0.2011043372 0.00
## 3986 NumNitrogen 0.5778494653 0.00
## 3987 NumOxygen 0.8034092173 0.00
## 3988 NumSulfer -0.2572576209 0.00
## 3989 NumChlorine -0.3982146510 0.00
## 3990 NumHalogen 0.0385117231 0.00
## 3991 NumRings -0.0480303616 0.00
## 3992 HydrophilicFactor 0.0860093264 0.00
## 3993 SurfaceArea1 -0.0145855500 0.00
## 3994 SurfaceArea2 -0.0027161746 0.00ggplot(lassobetadf, aes(x=lambda, y=coefficient)) + geom_line(aes(group=name, col=name), alpha=.3) + theme(legend.position="none") 
I’ve adjusted alpha to show concentration better, since there are so many predictors.
4.5 Model Selection
Without centered test data
#Compute the test MSE for each method
TrainXmeans <- apply(solTrainXtrans, FUN = mean, MARGIN=2)
TrainXsds <- apply(solTrainXtrans, FUN=sd, MARGIN=2)
pls_yhat <- as.matrix(solTestXtrans) %*% as.matrix(coef(pls_fit$finalModel,18))
pls_e <- as.matrix(solTestY) - pls_yhat
pls_MSE <- mean(pls_e**2)
pcr_yhat <- as.matrix(solTestXtrans) %*% as.matrix(coef(pcr_fit$finalModel,40))
pcr_e <- as.matrix(solTestY) - pcr_yhat
pcr_MSE <- mean(pcr_e**2)
ridge_yhat <- as.matrix(solTestXtrans) %*% as.matrix(coef(ridge_fit, s = "lambda.min"))[c(2:229)]
ridge_e <- as.matrix(solTestY) - ridge_yhat
ridge_MSE <- mean(ridge_e**2)
lasso_yhat <- as.matrix(solTestXtrans) %*% as.matrix(coef(lasso_fit, s = "lambda.min"))[c(2:229)]
lasso_e <- as.matrix(solTestY) - lasso_yhat
lasso_MSE <- mean(lasso_e**2)MSEs <- data.frame(Type = c("PLS", "PCR", "Ridge", "Lasso"),MSE = c(pls_MSE,pcr_MSE,ridge_MSE,lasso_MSE))
ggplot(MSEs, aes(x=Type, y=MSE)) + geom_point()
With centered test data
#Compute the test MSE for each method
TrainXmeans <- apply(solTrainXtrans, FUN = mean, MARGIN=2)
TrainXsds <- apply(solTrainXtrans, FUN=sd, MARGIN=2)
TrainYmean <- mean(solTrainY)
TrainYsd <- sd(solTrainY)
TestX <- sweep(solTestXtrans, STAT = TrainXmeans, FUN= "-", MARGIN=2)
TestX <- sweep(TestX, STAT=TrainXsds, FUN="/", MARGIN=2)
TestY <- (solTestY - TrainYmean)/(TrainYsd)pls_yhat <- as.matrix(TestX) %*% as.matrix(coef(pls_fit$finalModel,18))
pls_e <- as.matrix(TestY) - pls_yhat
pls_MSE <- mean(pls_e**2)
pcr_yhat <- as.matrix(TestX) %*% as.matrix(coef(pcr_fit$finalModel,40))
pcr_e <- as.matrix(TestY) - pcr_yhat
pcr_MSE <- mean(pcr_e**2)
ridge_yhat <- as.matrix(TestX) %*% as.matrix(coef(ridge_fit, s = "lambda.min"))[c(2:229)]
ridge_e <- as.matrix(TestY) - ridge_yhat
ridge_MSE <- mean(ridge_e**2)
lasso_yhat <- as.matrix(TestX) %*% as.matrix(coef(lasso_fit, s = "lambda.min"))[c(2:229)]
lasso_e <- as.matrix(TestY) - lasso_yhat
lasso_MSE <- mean(lasso_e**2)MSEs <- data.frame(Type = c("PLS", "PCR", "Ridge", "Lasso"), MSE = c(pls_MSE,pcr_MSE,ridge_MSE,lasso_MSE))
ggplot(MSEs, aes(x=Type, y=MSE)) + geom_point()
Which method gives the smallest test-MSE?
PCR gives the smallest Test MSE.